SCHEMBL28614764

SCHEMBL28614764

CC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)C(C)(C)C)CC4)c3)ncc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
DDR2 Q16832 7/20 0.45
IGF1R P08069 7/20 0.44
CDK4 P11802 3/20 0.44
CDK6 Q00534 3/20 0.44
CDK2 P24941 2/20 0.44
CCNA2 P20248 1/20 0.44
PIK3CD O00329 2/20 0.44
CSF1R P07333 2/20 0.44
STK17A Q9UEE5 2/20 0.43
CDK1 P06493 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
KCNH2 Q12809 1/20 0.42
MYLK4 Q86YV6 1/20 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
SCHEMBL22089665 1.00 JAK2 (0.48) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL29942076 1.00 JAK2 (0.48) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL24852770 0.91 IGF1R (0.50) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL28612312 0.91 IGF1R (0.50) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL29942476 0.91 IGF1R (0.50) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL22089701 0.90 CDK4 (0.54) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL29942180 0.90 CDK4 (0.54) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL22097751 0.90 CDK4 (0.54) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL29942188 0.90 CDK4 (0.54) JAK2JAK1JAK3DDR2IGF1R
SCHEMBL28600652 0.90 CDK4 (0.54) JAK2JAK1JAK3DDR2IGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed