SCHEMBL30956444

SCHEMBL30956444

N#CCNC(=O)c1cccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.49
JAK2 O60674 12/20 0.49
JAK1 P23458 12/20 0.49
IGF1R P08069 2/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
CDK8 P49336 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
KCNH2 Q12809 1/20 0.47
CLK2 P49760 1/20 0.46
LRRK2 Q5S007 1/20 0.46
TYK2 P29597 5/20 0.45
FLT4 P35916 4/20 0.43
KDR P35968 3/20 0.43

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
SCHEMBL30956536 0.88 JAK3 (0.56) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL30956381 0.88 FLT4 (0.55) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL30956618 0.85 JAK3 (0.53) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL29941855 0.84 JAK3 (0.51) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL22097735 0.84 JAK3 (0.51) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL30956498 0.84 IGF1R (0.52) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL30956581 0.83 JAK2 (0.53) JAK3JAK2JAK1CDK2CDK7
SCHEMBL22089925 0.82 JAK2 (0.65) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL22097829 0.81 JAK3 (0.54) JAK3JAK2JAK1IGF1RCDK1
SCHEMBL30956443 0.80 JAK3 (0.46) JAK3JAK2JAK1IGF1RCDK1

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