SCHEMBL22098023

SCHEMBL22098023

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(CC(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ FLT4 P35916 5/20 0.44
▸ KDR P35968 4/20 0.44
▸ JAK3 P52333 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 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
SCHEMBL27064927 0.94 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27059362 0.91 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27064719 0.86 IGF1R (0.44) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28606139 0.86 IGF1R (0.45) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853389 0.84 IGF1R (0.52) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27059360 0.84 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL31557690 0.84 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24852749 0.83 FLT4 (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL30956471 0.83 IGF1R (0.41) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27059309 0.83 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7

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-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 — — WO disclosed
Send feedback