SCHEMBL30956516

SCHEMBL30956516

Cc1cnc(Nc2cnn(C3CC(F)(F)C3)c2)nc1-c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.46
JAK1 P23458 12/20 0.46
JAK3 P52333 11/20 0.46
TYK2 P29597 5/20 0.46
FLT4 P35916 1/20 0.42
IGF1R P08069 3/20 0.41
NUAK1 O60285 1/20 0.41
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
AURKA O14965 1/20 0.40

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
SCHEMBL30956438 0.91 JAK3 (0.48) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956469 0.91 JAK3 (0.42) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956567 0.90 JAK3 (0.54) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956557 0.87 FLT4 (0.47) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956513 0.87 JAK3 (0.51) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956439 0.86 JAK3 (0.51) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956437 0.85 NUAK1 (0.57) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956433 0.85 JAK3 (0.49) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956615 0.85 FLT4 (0.55) JAK2JAK1JAK3TYK2FLT4
SCHEMBL30956494 0.85 IGF1R (0.48) JAK2JAK1JAK3TYK2IGF1R

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