SCHEMBL4069131

SCHEMBL4069131

CCCCOC(=O)c1cc(Nc2cc(C3CC3)n[nH]2)nc(NC(CO)c2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.45
NTRK1 P04629 13/20 0.43
MAPK1 P28482 2/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
CDK2 P24941 1/20 0.34
PDE2A O00408 1/20 0.33

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
SCHEMBL4074688 0.90 NTRK1 (0.46) IGF1RNTRK1MAPK1CCNT1CDK9
SCHEMBL4148218 0.87 IGF1R (0.58) IGF1RNTRK1
SCHEMBL4072748 0.84 NTRK1 (0.47) NTRK1MAPK1PDE2A
SCHEMBL4066820 0.83 NTRK1 (0.47) NTRK1
Butyl Formate SCHEMBL27654561 0.81 NTRK1 (0.46) IGF1RNTRK1MAPK1
SCHEMBL4151801 0.76 NTRK1 (0.59) IGF1RNTRK1
SCHEMBL4077780 0.76 NTRK1 (0.56) IGF1RNTRK1
SCHEMBL4068820 0.73 NTRK1 (0.54) NTRK1
SCHEMBL4073723 0.73 NTRK1 (0.53) NTRK1
SCHEMBL3343540 0.73 NTRK1 (0.54) NTRK1CCNT1CDK9

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