SCHEMBL3720749

SCHEMBL3720749

CCN(c1ccccc1)c1nc(Nc2cccc(NC(=O)COC)c2)ncc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
EGFR P00533 7/20 0.49
ITK Q08881 2/20 0.47
JAK3 P52333 3/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
BTK Q06187 6/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SYK P43405 2/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3714738 0.88 EGFR (0.53) EGFRITKJAK3MAPK8MAPK9
SCHEMBL3715520 0.88 MAPK9 (0.43) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL3712392 0.87 MAPK8 (0.45) EGFRITKJAK3MAPK8MAPK9
SCHEMBL3723340 0.83 MAPK8 (0.42) EGFRITKJAK3MAPK8MAPK9
SCHEMBL3722239 0.83 ULK1 (0.50) CDK2EGFRITKJAK3BTK
SCHEMBL3721800 0.82 SYK (0.46) CDK2EGFRITKJAK3MAPK8
SCHEMBL3714499 0.79 MAPK9 (0.44) EGFRITKMAPK8MAPK9SYK
SCHEMBL914764 0.79 STAT6 (0.60) CCNT1CCNE1CDK2CDK9EGFR
SCHEMBL3712502 0.79 EGFR (0.44) EGFRITKJAK3MAPK8MAPK9
SCHEMBL913674 0.77 CCNT1 (0.55) 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