SCHEMBL30956566

SCHEMBL30956566

N#CCNC(=O)c1ccccc1-c1nc(Nc2cnn(CC#N)c2)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC6 Q9UBN7 5/20 0.44
CDK7 P50613 4/20 0.44
CDK9 P50750 4/20 0.44
CDK2 P24941 3/20 0.44
JAK3 P52333 5/20 0.44
MAP3K7 O43318 2/20 0.43
FLT3 P36888 2/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
JAK2 O60674 7/20 0.43
JAK1 P23458 4/20 0.43
RPS6KB1 P23443 1/20 0.42
BTK Q06187 1/20 0.42
FLT4 P35916 2/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42

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
SCHEMBL30956581 0.89 JAK2 (0.53) CDK7CDK9CDK2JAK3MAP3K7
SCHEMBL30956429 0.89 JAK2 (0.47) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL30956483 0.89 MAP3K7 (0.46) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL22089920 0.84 JAK3 (0.57) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL30956381 0.83 FLT4 (0.55) CDK7CDK9CDK2JAK3JAK2
SCHEMBL30956577 0.81 JAK2 (0.53) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL28605542 0.81 JAK2 (0.49) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL30956533 0.81 JAK2 (0.51) HDAC3HDAC1HDAC6CDK7CDK9
SCHEMBL30956478 0.80 JAK3 (0.54) JAK3JAK2JAK1
SCHEMBL28605522 0.79 JAK3 (0.47) JAK3JAK2JAK1GSK3B

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