SCHEMBL726003

SCHEMBL726003

Cc1ccc(CNc2ncnc3c2ncn3-n2cnc3c(NCc4ccccc4)ncnc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.68
▸ CCNB2 O95067 3/20 0.64
▸ CCNB1 P14635 3/20 0.64
▸ CCNB3 Q8WWL7 3/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ TMIGD3 P0DMS9 2/20 0.62
▸ ADORA2A P29274 2/20 0.62
▸ ADORA1 P30542 2/20 0.62
▸ RAB9A P51151 4/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAPT P10636 1/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL27965570 0.92 CDK1 (0.74) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL28162237 0.81 CDK1 (0.60) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL4382069 0.81 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22571186 0.79 TMIGD3 (0.81) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20782357 0.79 CDK1 (0.71) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL30539284 0.78 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22571150 0.78 CDK1 (0.70) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL754120 0.78 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL17933852 0.77 ADORA2A (0.74) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL28877662 0.77 CDK1 (0.69) CDK1CCNB2CCNB1CCNB3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671616-B1 Hair growth promoter composition LION CORP (JP) 2012-02-29 — — EP claimed
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