SCHEMBL4075185

SCHEMBL4075185

OC(Cc1ccccc1)Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.59
PAK4 O96013 2/20 0.54
PAK1 Q13153 2/20 0.54
SRC P12931 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL4075190 0.85 NTRK1 (0.65) NTRK1PAK4PAK1SRCCCNA2
SCHEMBL4155683 0.85 NTRK1 (0.65) NTRK1PAK4PAK1SRCCCNA2
SCHEMBL27654586 0.79 NTRK1 (0.64) NTRK1PAK4PAK1
SCHEMBL4074989 0.79 NTRK1 (0.64) NTRK1PAK4PAK1
SCHEMBL4065327 0.78 NTRK1 (0.68) NTRK1SRCCCNA2CDK2GSK3B
SCHEMBL4069145 0.78 PAK4 (0.69) NTRK1PAK4PAK1SRCCCNA2
SCHEMBL20352215 0.76 PAK4 (0.67) NTRK1PAK4PAK1SRCCCNA2
SCHEMBL22034770 0.75 NTRK1 (0.88) NTRK1PAK4PAK1GSK3B
SCHEMBL30482749 0.75 NTRK1 (0.76) NTRK1PAK4PAK1SRCCCNA2
SCHEMBL25819237 0.74 NTRK1 (1.00) NTRK1

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