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SCHEMBL28598992

SCHEMBL28598992

CC(=O)N1CCC(n2cc(Nc3ncc(C)c(-c4ccccc4C(=O)NC(C)C#N)n3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ FLT4 P35916 1/20 0.48

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
SCHEMBL28612508 0.92 FLT4 (0.49) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28617781 0.92 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL30956392 0.89 DDR2 (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28603799 0.89 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29249048 0.87 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29249049 0.87 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL30956372 0.87 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28612506 0.85 FLT4 (0.55) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28606145 0.85 CDK2 (0.49) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28600674 0.85 JAK1 (0.52) CDK2CDK8CDK7CDK9FLT4

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