SCHEMBL22315715

SCHEMBL22315715

CC(OCCc1cnn[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL22316972 0.82 CYP4F2 (0.40) —
SCHEMBL15875664 0.76 HCAR2 (0.32) POLBNPSR1
SCHEMBL22315716 0.71 APLNR (0.31) LMNA
SCHEMBL22316960 0.71 APLNR (0.31) LMNA
SCHEMBL16672492 0.71 TDP1 (0.44) TDP1LMNA
SCHEMBL22445923 0.68 POLB (0.33) POLBKMT2A
SCHEMBL30874619 0.67 NOS1 (0.35) —
SCHEMBL21877017 0.67 CA12 (0.33) POLBNPSR1TDP1
SCHEMBL29283271 0.66 TDP1 (0.33) POLBNPSR1TDP1LMNAKMT2A
SCHEMBL31638119 0.66 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518101-B Pyrrolopyrimidine derivatives and uses thereof 武汉人福创新药物研发中心有限公司 2022-07-29 — — CN disclosed
EP-3919498-A1 PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2021-12-08 — — EP disclosed
CN-111518101-A Pyrrolopyrimidine derivatives and uses thereof 湖北生物医药产业技术研究院有限公司 2020-08-11 — — CN disclosed
WO-2020156459-A1 PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-08-06 — — WO disclosed
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