SCHEMBL9048611

SCHEMBL9048611

CC(C)(C)C(=O)Nc1cc2c(O)ncnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32

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
SCHEMBL15828666 0.71 IKBKB (0.38) KITCSF1R
SCHEMBL3647958 0.69 TRPA1 (0.44) KIT
SCHEMBL15062514 0.68 DAO (0.46) GAASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9048053 0.67 ABL1 (0.35) KIT
SCHEMBL22502463 0.65 IKBKB (0.38) TP53CA2KITKDM4E
SCHEMBL18342027 0.65 PARP1 (0.35) KITCSF1RKDM4E
SCHEMBL4892663 0.64 CSF1R (0.56) GAAMAPTALDH1A1LMNAKIT
SCHEMBL2199156 0.64 KDM4E (0.43) JAK2L3MBTL1GAAHTTMAPT
SCHEMBL18786950 0.64 L3MBTL1 (0.47) MAP4K4JAK2L3MBTL1GAAADORA1
SCHEMBL25707106 0.64 L3MBTL1 (0.47) MAP4K4L3MBTL1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 — — EP disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 — — US disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 — — US disclosed
US-5028608-A Antineoplastic Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-07-02 — — US 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
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