SCHEMBL3716229

SCHEMBL3716229

COCC(=O)Nc1cccc(Nc2ncc(C(=O)NNC(C)C)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CDK9 P50750 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
CDK8 P49336 1/20 0.43
EGFR P00533 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
JAK3 P52333 1/20 0.41
KIT P10721 1/20 0.41
BTK Q06187 2/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL913477 0.74 CCNT1 (0.59) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL9495103 0.74 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMAPTALOX12MAPK1
SCHEMBL3722314 0.71 HDAC3 (0.51) SMN1; SMN2HDAC6HDAC3HDAC1HDAC2
SCHEMBL913874 0.70 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913873 0.70 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913932 0.69 CCNT1 (0.55) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913674 0.69 CCNT1 (0.55) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL913675 0.69 CCNT1 (0.55) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL11412031 0.69 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMAPTALOX12MAPK1
SCHEMBL913597 0.68 CCNT1 (0.57) CCNT1CCNE1CDK2CDK9EGFR

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed