SCHEMBL30956441

SCHEMBL30956441

Cc1cnc(Nc2cnn([C@H]3CC[C@H](C#N)CC3)c2)nc1-c1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.49
JAK1 P23458 10/20 0.49
JAK2 O60674 10/20 0.47
TYK2 P29597 4/20 0.47
NUAK1 O60285 1/20 0.43
IGF1R P08069 4/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
CDK8 P49336 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
KCNH2 Q12809 1/20 0.43
FLT4 P35916 1/20 0.42
STAT3 P40763 1/20 0.42
LRRK2 Q5S007 1/20 0.41
MAP4K1 Q92918 1/20 0.41
DDR2 Q16832 1/20 0.41

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
SCHEMBL30956420 1.00 JAK3 (0.49) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956559 1.00 JAK3 (0.49) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956567 0.93 JAK3 (0.54) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL31013318 0.92 JAK3 (0.46) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956608 0.92 JAK3 (0.46) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956439 0.89 JAK3 (0.51) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956443 0.89 JAK3 (0.46) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956551 0.89 JAK3 (0.46) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956392 0.89 DDR2 (0.46) JAK3JAK1JAK2TYK2NUAK1
SCHEMBL30956513 0.88 JAK3 (0.51) JAK3JAK1JAK2TYK2NUAK1

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