SCHEMBL30956553

SCHEMBL30956553

O=C(O)c1ccccc1-c1nc(Nc2cnn(C3CC3)c2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.56
IGF1R P08069 1/20 0.56
CDK2 P24941 1/20 0.56
CDK8 P49336 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
KCNH2 Q12809 1/20 0.56
JAK3 P52333 10/20 0.55
JAK1 P23458 9/20 0.55
JAK2 O60674 9/20 0.55
FLT4 P35916 6/20 0.50
KDR P35968 6/20 0.50
TYK2 P29597 3/20 0.49
MAP3K7 O43318 1/20 0.48
MAPK1 P28482 1/20 0.48
MAP2K1 Q02750 1/20 0.48
AURKB Q96GD4 1/20 0.46
NUAK1 O60285 1/20 0.46

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
SCHEMBL30956537 0.93 JAK3 (0.58) CDK1IGF1RCDK2CDK8CDK7
Lithium SCHEMBL30956422 0.92 FLT4 (0.58) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956536 0.92 JAK3 (0.56) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956585 0.89 CDK2 (0.55) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956399 0.89 IGF1R (0.58) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956567 0.88 JAK3 (0.54) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956452 0.87 CDK1 (0.51) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30891574 0.87 CDK1 (0.54) CDK1IGF1RCDK2CDK8CDK7
SCHEMBL30956582 0.87 JAK2 (0.60) CDK1CDK2CDK8CDK7CDK9
SCHEMBL30956373 0.86 JAK3 (0.53) JAK3JAK1JAK2TYK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
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