SCHEMBL29249042

SCHEMBL29249042

CCCC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 15/20 0.45
▸ JAK2 O60674 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ DDR2 Q16832 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL27059340 1.00 IGF1R (0.45) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29249078 0.95 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29941765 0.95 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29941634 0.92 IGF1R (0.47) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29249059 0.92 IGF1R (0.47) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL28602251 0.90 JAK2 (0.48) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29249079 0.90 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29941606 0.90 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL29249060 0.90 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2
SCHEMBL27059328 0.90 IGF1R (0.46) IGF1RJAK2JAK3JAK1DDR2

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-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
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