SCHEMBL28618394

SCHEMBL28618394

CCC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.50
JAK3 P52333 3/20 0.50
JAK2 O60674 2/20 0.50
DDR2 Q16832 10/20 0.46
IGF1R P08069 5/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
KCNH2 Q12809 1/20 0.45
FLT4 P35916 2/20 0.43
KDR P35968 1/20 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
SCHEMBL29941683 1.00 JAK1 (0.50) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL24852531 1.00 JAK1 (0.50) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL28617756 0.95 FLT4 (0.51) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL22089916 0.95 FLT4 (0.51) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL27171235 0.95 JAK3 (0.54) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL24852572 0.95 JAK2 (0.51) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL28605865 0.95 JAK2 (0.51) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL22089918 0.95 JAK3 (0.54) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL29941786 0.95 JAK2 (0.51) JAK1JAK3JAK2DDR2IGF1R
SCHEMBL27171234 0.93 JAK2 (0.49) JAK1JAK3JAK2DDR2IGF1R

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