SCHEMBL30956508

SCHEMBL30956508

CN1CCC(n2cc(Nc3ncc(F)c(-c4ccccc4C(=O)O)n3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.54
JAK2 O60674 6/20 0.54
JAK1 P23458 6/20 0.54
CDK2 P24941 2/20 0.52
CDK4 P11802 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK6 Q00534 1/20 0.52
FLT4 P35916 7/20 0.50
KDR P35968 5/20 0.50
IGF1R P08069 3/20 0.49
CDK1 P06493 1/20 0.47
CDK8 P49336 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL30956442 0.91 JAK3 (0.55) JAK3JAK2JAK1CDK2CDK4
SCHEMBL30956615 0.90 FLT4 (0.55) JAK3JAK2JAK1CDK2FLT4
SCHEMBL30956556 0.89 IGF1R (0.48) JAK3JAK2JAK1CDK2FLT4
Lithium SCHEMBL30956422 0.89 FLT4 (0.58) JAK3JAK2JAK1CDK2FLT4
SCHEMBL30956497 0.86 JAK3 (0.54) JAK3JAK2JAK1CDK4CDK6
SCHEMBL28606145 0.85 CDK2 (0.49) JAK3JAK2JAK1CDK2CDK4
SCHEMBL31557689 0.85 CDK4 (0.57) JAK3JAK2JAK1CDK2CDK4
SCHEMBL22098013 0.85 CDK4 (0.57) JAK3JAK2JAK1CDK2CDK4
SCHEMBL30956567 0.83 JAK3 (0.54) JAK3JAK2JAK1CDK2FLT4
SCHEMBL30956373 0.81 JAK3 (0.53) JAK3JAK2JAK1

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