SCHEMBL13759282

SCHEMBL13759282

Cn1cnc2c(N)nc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.47
▸ DYRK1A Q13627 2/20 0.46
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ CCNB1 P14635 3/20 0.38
▸ CCNE1 P24864 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ PIK3CB P42338 1/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ AHCY P23526 1/20 0.33
▸ ADORA2B P29275 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
SCHEMBL13759294 0.81 CDK1 (0.53) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL13764820 0.81 CDK1 (0.45) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL15457576 0.81 AHCY (0.49) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL18409182 0.79 CDK1 (0.42) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL12344290 0.76 DYRK1A (0.40) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL18409422 0.75 CDK1 (0.42) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL2766667 0.72 DYRK1A (0.37) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL6877790 0.71 KDM4E (0.53) CDK1ADORA2AADORA1KDM4EALDH1A1
SCHEMBL18520389 0.69 ADORA2A (0.43) CDK1DYRK1AADORA2AADORA1CCNB1
SCHEMBL18398413 0.69 ADORA2A (0.46) DYRK1AADORA2AADORA1TLR7KDM4E

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
US-8642602-B2 Method of inhibiting fibrogenesis and treating fibrotic disease UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-02-04 — — US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 — — US disclosed
US-7557211-B2 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 — — US disclosed
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