SCHEMBL30956537

SCHEMBL30956537

O=C(O)c1ccccc1-c1nc(Nc2cnn(C3CCOCC3)c2)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.58
JAK1 P23458 15/20 0.58
JAK2 O60674 13/20 0.58
TYK2 P29597 4/20 0.58
MAP3K7 O43318 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP2K1 Q02750 1/20 0.57
LRRK2 Q5S007 1/20 0.54
CDK1 P06493 1/20 0.52
IGF1R P08069 1/20 0.52
CDK2 P24941 1/20 0.52
CDK8 P49336 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
KCNH2 Q12809 1/20 0.52
FLT4 P35916 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
SCHEMBL30956553 0.93 CDK1 (0.56) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL30956558 0.89 JAK3 (0.62) JAK3JAK1JAK2TYK2MAP3K7
Lithium SCHEMBL30956422 0.88 FLT4 (0.58) JAK3JAK1JAK2CDK1IGF1R
SCHEMBL30956409 0.87 JAK1 (0.53) JAK3JAK1JAK2TYK2LRRK2
SCHEMBL30956536 0.85 JAK3 (0.56) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL27171223 0.85 MAP3K7 (0.51) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL30956399 0.85 IGF1R (0.58) JAK3JAK1JAK2LRRK2CDK1
SCHEMBL31557669 0.84 MAP3K7 (0.53) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL22097841 0.84 MAP3K7 (0.53) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL30956373 0.84 JAK3 (0.53) JAK3JAK1JAK2TYK2LRRK2

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