SCHEMBL3960892

SCHEMBL3960892

Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1ccc(-c2c(C)noc2C)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.61
CCNA2 P20248 11/20 0.61
CDK2 P24941 11/20 0.61
CDK9 P50750 11/20 0.61
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CDK7 P50613 4/20 0.54
CCNH P51946 4/20 0.54
JAK2 O60674 3/20 0.53
JAK3 P52333 2/20 0.53
JAK1 P23458 1/20 0.53
BRD4 O60885 7/20 0.52

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
SCHEMBL13883512 0.84 TTK (0.46) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL3963154 0.79 CDK1 (0.51) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL3971207 0.77 CCNA2 (0.63) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL3973041 0.75 CDK2 (0.59) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL3964134 0.74 AXL (0.46) CCNA2CDK2CDK1JAK2JAK3
SCHEMBL3973039 0.74 SRC (0.58) CDK9CDK7JAK2JAK3JAK1
SCHEMBL3965218 0.73 AXL (0.45) CCNA2CDK2CDK1JAK2JAK3
SCHEMBL3966018 0.72 CCNT1 (0.42) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL3969755 0.72 JAK2 (0.70) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL13881589 0.72 CDK2 (0.58) CCNT1CCNA2CDK2CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed