SCHEMBL29249052

SCHEMBL29249052

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)C5CC5(C)C)CC4)c3)ncc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.47
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
KCNH2 Q12809 1/20 0.44
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL24852490 1.00 IGF1R (0.47) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853237 0.93 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24852489 0.92 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29248980 0.92 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853374 0.90 IGF1R (0.49) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24852444 0.89 IGF1R (0.47) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24852530 0.88 IGF1R (0.46) IGF1RJAK2JAK3JAK1
SCHEMBL24852743 0.88 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853520 0.88 IGF1R (0.47) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853210 0.88 IGF1R (0.51) IGF1RJAK2JAK3JAK1FLT4

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-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed