SCHEMBL28612508

SCHEMBL28612508

Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccccc1C(=O)NC(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 7/20 0.49
KDR P35968 5/20 0.49
IGF1R P08069 6/20 0.46
JAK3 P52333 3/20 0.46
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
KCNH2 Q12809 1/20 0.45
DDR2 Q16832 2/20 0.44
EGFR P00533 1/20 0.44
MAP3K14 Q99558 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL28606145 0.92 CDK2 (0.49) FLT4KDRIGF1RJAK3CDK1
SCHEMBL28612506 0.92 FLT4 (0.55) FLT4KDRIGF1RJAK3CDK1
SCHEMBL28598992 0.92 IGF1R (0.54) FLT4IGF1RCDK1CDK2CDK8
SCHEMBL28603799 0.92 IGF1R (0.46) FLT4KDRIGF1RJAK3CDK1
SCHEMBL28600659 0.91 FLT4 (0.49) FLT4KDRIGF1RJAK3DDR2
SCHEMBL30956392 0.91 DDR2 (0.46) FLT4KDRIGF1RJAK3CDK1
SCHEMBL28617781 0.90 IGF1R (0.46) FLT4KDRIGF1RJAK3CDK1
SCHEMBL28600674 0.88 JAK1 (0.52) FLT4KDRJAK3CDK2CDK8
SCHEMBL22089803 0.87 JAK3 (0.51) FLT4KDRIGF1RJAK3CDK2
SCHEMBL22089913 0.87 JAK3 (0.51) FLT4KDRIGF1RJAK3CDK2

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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed