SCHEMBL95557

SCHEMBL95557

Oc1nc[nH]c2nccc1-2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30682949 0.74 BRD4 (0.36) ALDH1A1
SCHEMBL102202 0.74 MEN1 (0.33) CYP3A4
SCHEMBL1188205 0.74 CSNK2A2 (0.30)
SCHEMBL27513844 0.72 MEN1 (0.33) CYP3A4
Hydrochloric Acid SCHEMBL29616692 0.72 GDA (0.35) CSNK1A1TYRO3DYRK1BKDM4ECYP3A4
Hydrochloric Acid SCHEMBL21683018 0.72 GDA (0.35) CSNK1A1TYRO3DYRK1BKDM4ECYP3A4
SCHEMBL17541171 0.71 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL28120813 0.70 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BALDH1A1CYP3A4
SCHEMBL31627252 0.69 CSNK1A1 (0.51) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL15109735 0.69 LRRK2 (0.34) CYP3A4CYP3A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645956-A Preparation method of prodrug intermediate of thymidine phosphorylase inhibitor 天津全和诚科技有限责任公司 2021-04-13 CN claimed
CN-110790768-A Production system of medical intermediate 4-chloro-pyrrolopyrimidine 廖文杰 2020-02-14 CN claimed
EP-0576211-B1 Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates LILLY CO ELI (US) 2001-08-22 EP claimed
EP-0595467-B1 Process for preparing antifolate 4-hydroxypyrrolo 2,3-d pyrimidine derivatives LILLY CO ELI (US) 2000-07-19 EP claimed
US-5426187-A Process for the preparation of 4-hydroxy-5-substituted ethynylpyrrolo [2,3-d]pyrimidine intermediates ELI LILLY AND COMPANY (US) 1995-06-20 US claimed
EP-0595467-A2 Process for preparing antifolate 4-hydroxypyrrolo 2,3-d pyrimidine derivatives ELI LILLY AND COMPANY (US) 1994-05-04 EP claimed
US-5278307-A Process for preparing 4-hydroxypyrrolo(2,3-d)pyrimidine based antifolate compounds and intermediates ELI LILLY AND COMPANY (US) 1994-01-11 US claimed
EP-0576211-A2 Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP claimed
JP-6056838-A None JP disclosed
JP-6211863-A None JP disclosed
CN-118317946-A Processes and intermediates for the preparation of baratinib 因赛特公司 2024-07-09 CN disclosed
CN-117043152-A Methods and intermediates for preparing JAK1 inhibitors 因赛特公司 2023-11-10 CN disclosed
CN-116761792-A Methods and intermediates for preparing JAK inhibitors 因赛特公司 2023-09-15 CN disclosed
EP-4200278-A1 PROCESS AND INTERMEDIATES FOR PREPARING A JAK1 INHIBITOR Incyte Corporation (US) 2023-06-28 EP disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
US-5235053-A Process for the synthesis of 4-hydroxy-5-halopyrrold[2,3-d]pyrimidine intermediates ELI LILLY AND COMPANY (US) 1993-08-10 US disclosed
US-5235053-A Process for the synthesis of 4-hydroxy-5-halopyrrold[2,3-d]pyrimidine intermediates ELI LILLY AND COMPANY (US) 1993-08-10 US disclosed
EP-0549886-A1 Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-07-07 EP disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed
US-4996206-A Antitumor agent THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-02-26 US disclosed