SCHEMBL30956533

SCHEMBL30956533

COC(=O)c1ccccc1-c1nc(Nc2cnn(CCC#N)c2)ncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.51
JAK3 P52333 7/20 0.51
JAK1 P23458 7/20 0.51
TYK2 P29597 6/20 0.51
STAT3 P40763 4/20 0.51
MAP3K7 O43318 2/20 0.46
FLT4 P35916 1/20 0.46
HDAC3 O15379 8/20 0.46
HDAC1 Q13547 8/20 0.46
HDAC6 Q9UBN7 6/20 0.46
CDK2 P24941 3/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
MAPK1 P28482 1/20 0.45
FLT3 P36888 1/20 0.45
MAP2K1 Q02750 1/20 0.45
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44

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
SCHEMBL30956483 0.92 MAP3K7 (0.46) JAK2JAK3JAK1TYK2MAP3K7
SCHEMBL30956577 0.90 JAK2 (0.53) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956424 0.88 MAP3K7 (0.58) JAK2JAK3JAK1TYK2MAP3K7
SCHEMBL28605542 0.86 JAK2 (0.49) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956385 0.85 CDK2 (0.58) JAK2JAK3JAK1TYK2MAP3K7
SCHEMBL24853413 0.85 JAK2 (0.52) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956429 0.82 JAK2 (0.47) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956485 0.81 JAK3 (0.44) JAK2JAK3JAK1TYK2STAT3
SCHEMBL30956456 0.81 MAP3K7 (0.58) JAK2JAK3JAK1TYK2MAP3K7
SCHEMBL30956482 0.81 JAK2 (0.66) JAK2JAK3JAK1TYK2STAT3

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