SCHEMBL30956448

SCHEMBL30956448

COC(=O)c1ncccc1-c1nc(Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)ncc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.53
JAK2 O60674 2/20 0.53
PTK2 Q05397 2/20 0.53
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IGF1R P08069 9/20 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
EGFR P00533 2/20 0.43
LCK P06239 1/20 0.43
BTK Q06187 1/20 0.43
TNK2 Q07912 1/20 0.42
FLT4 P35916 1/20 0.41
TTK P33981 1/20 0.41
MET P08581 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL30956414 0.89 IGF1R (0.45) JAK3JAK2PTK2IGF1RCDK1
SCHEMBL30956547 0.89 JAK3 (0.46) JAK3JAK2IGF1RCDK1CDK2
SCHEMBL30956502 0.87 NUAK1 (0.51) JAK3JAK2PTK2FLT4
SCHEMBL24852446 0.85 JAK3 (0.52) JAK3JAK2PTK2DDB1CRBN
SCHEMBL27059227 0.83 GPR119 (0.51) JAK3JAK2PTK2DDB1CRBN
SCHEMBL30956380 0.82 IGF1R (0.51) JAK3JAK2IGF1RCDK1CDK2
SCHEMBL30956622 0.81 IGF1R (0.46) JAK3JAK2IGF1RCDK1CDK2
SCHEMBL22114893 0.81 JAK3 (0.52) JAK3JAK2PTK2DDB1CRBN
SCHEMBL30956561 0.81 IGF1R (0.48) JAK3JAK2PTK2IGF1RCDK1
SCHEMBL30956609 0.81 JAK1 (0.47) JAK3JAK2IGF1RCDK1CDK2

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