SCHEMBL3135430

SCHEMBL3135430

Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2c3cc(C(=O)CN)ccc3[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ CNR1 P21554 6/20 0.36
▸ CNR2 P34972 6/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ DPP4 P27487 3/20 0.34
▸ F2RL3 Q96RI0 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
Hydrochloric Acid SCHEMBL1338631 0.99 JAK2 (0.38) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL1338965 0.90 PARP1 (0.38) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL1338853 0.87 CNR1 (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL1337089 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL1339199 0.81 EPHX2 (0.37) JAK2JAK1TYK2JAK3CNR1
SCHEMBL1339851 0.80 CNR1 (0.37) CNR1CNR2DPP4F2RL3DPP8
SCHEMBL958804 0.80 F2RL3 (0.46) CNR1CNR2CA12CA9F2RL3
Hydrochloric Acid SCHEMBL1338472 0.80 CNR1 (0.36) CNR1CNR2DPP4F2RL3DPP8
SCHEMBL1338067 0.78 KDM4E (0.48) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1340487 0.77 KDM4E (0.43) CNR1CNR2F2RL3LMNAMAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO disclosed
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