SCHEMBL28606136

SCHEMBL28606136

Cc1cnc(Nc2cnn(C3CCN(C(=O)O)CC3)c2)nc1-c1ccc(C(=O)NC(C)C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.49
▸ JAK3 P52333 4/20 0.49
▸ JAK1 P23458 3/20 0.49
▸ IGF1R P08069 13/20 0.48
▸ DDR2 Q16832 1/20 0.46
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL29249048 0.94 IGF1R (0.53) JAK2JAK3JAK1IGF1RCDK1
SCHEMBL29249049 0.94 IGF1R (0.53) JAK2JAK3JAK1IGF1RCDK1
SCHEMBL30956372 0.94 IGF1R (0.53) JAK2JAK3JAK1IGF1RCDK1
SCHEMBL28603996 0.93 JAK2 (0.48) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL28614711 0.93 JAK2 (0.49) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL29941622 0.93 JAK2 (0.49) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL22090172 0.93 JAK2 (0.49) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL22089894 0.93 DDR2 (0.51) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL29941768 0.93 DDR2 (0.51) JAK2JAK3JAK1IGF1RDDR2
SCHEMBL28618372 0.93 DDR2 (0.51) JAK2JAK3JAK1IGF1RDDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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