SCHEMBL30956536

SCHEMBL30956536

O=C(O)c1cccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)c1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.56
JAK2 O60674 10/20 0.56
JAK1 P23458 10/20 0.56
TYK2 P29597 4/20 0.50
CDK1 P06493 1/20 0.50
IGF1R P08069 1/20 0.50
CDK2 P24941 1/20 0.50
CDK8 P49336 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
KCNH2 Q12809 1/20 0.50
CLK2 P49760 1/20 0.45
LRRK2 Q5S007 1/20 0.45
FLT4 P35916 4/20 0.45
KDR P35968 4/20 0.45
MAP3K7 O43318 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL30956553 0.92 CDK1 (0.56) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956497 0.91 JAK3 (0.54) JAK3JAK2JAK1TYK2CLK2
SCHEMBL30956618 0.90 JAK3 (0.53) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956568 0.89 JAK3 (0.50) JAK3JAK2JAK1TYK2CLK2
SCHEMBL30956565 0.88 JAK3 (0.51) JAK3JAK2JAK1TYK2CLK2
SCHEMBL30956444 0.88 JAK3 (0.49) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956537 0.85 JAK3 (0.58) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956452 0.83 CDK1 (0.51) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956585 0.83 CDK2 (0.55) JAK3JAK2JAK1TYK2CDK1
SCHEMBL30956597 0.83 JAK3 (0.49) JAK3JAK2JAK1TYK2CLK2

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