SCHEMBL4069145

SCHEMBL4069145

Clc1ccc2nc(Cl)nc(Nc3cc(C4CC4)[nH]n3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.69
PAK1 Q13153 2/20 0.69
SRC P12931 2/20 0.67
CCNA2 P20248 2/20 0.67
CDK2 P24941 2/20 0.67
GSK3B P49841 1/20 0.67
NTRK1 P04629 1/20 0.63

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
SCHEMBL4070230 0.91 NTRK1 (0.63) PAK4PAK1SRCCCNA2CDK2
SCHEMBL4068008 0.88 NTRK1 (0.61) PAK4PAK1SRCCCNA2CDK2
SCHEMBL20352215 0.88 PAK4 (0.67) PAK4PAK1SRCCCNA2CDK2
SCHEMBL29618398 0.87 ULK1 (0.65) PAK4PAK1SRCCCNA2CDK2
SCHEMBL786513 0.87 ULK1 (0.65) PAK4PAK1SRCCCNA2CDK2
SCHEMBL20352316 0.85 PAK4 (0.63) PAK4PAK1SRCCCNA2CDK2
SCHEMBL4068978 0.85 PAK4 (0.59) PAK4PAK1SRCCCNA2CDK2
SCHEMBL20352253 0.85 SRC (0.64) PAK4PAK1SRCCCNA2CDK2
SCHEMBL28387351 0.85 PAK4 (0.59) PAK4PAK1SRCCCNA2CDK2
SCHEMBL20352228 0.82 SRC (0.60) PAK4PAK1SRCCCNA2CDK2

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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed