SCHEMBL28606148

SCHEMBL28606148

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)NC(C)(C)C)CC4)c3)ncc2C)cc1-c1nc(Nc2cnn(C3CCN(C(=O)NC(C)(C)C)CC3)c2)ncc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.44
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
CDK8 P49336 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
KCNH2 Q12809 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 1/20 0.40
MAP4K1 Q92918 1/20 0.40
TYK2 P29597 2/20 0.39
JAK1 P23458 1/20 0.39
FLT4 P35916 1/20 0.38

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
SCHEMBL30956391 0.91 IGF1R (0.47) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24852445 0.89 IGF1R (0.47) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853191 0.84 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28919841 0.84 JAK2 (0.40) IGF1RJAK2JAK3MAP4K1TYK2
SCHEMBL30956427 0.83 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL30956561 0.82 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28598709 0.81 KDR (0.46) IGF1RJAK2JAK3MAP4K1TYK2
SCHEMBL24852480 0.80 JAK3 (0.48) IGF1RJAK2JAK3MAP4K1TYK2
SCHEMBL30956408 0.80 IGF1R (0.49) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL24853511 0.79 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 2 patents. 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
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