SCHEMBL4067495

SCHEMBL4067495

Cc1c(N)nc(NC(C)c2ccccc2)nc1-c1cc(C2CC2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.43
NTRK1 P04629 5/20 0.43
IDH1 O75874 3/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
NUDT1 P36639 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL4071743 0.90 NTRK1 (0.47) NTRK1HTR7
SCHEMBL4075051 0.86 MAPK13 (0.41) IGF1RNTRK1IDH1MAPK13MAPK12
SCHEMBL4151428 0.84 NTRK1 (0.49) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL4077928 0.82 NTRK1 (0.49) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL4072134 0.81 NTRK1 (0.48) NTRK1HTR7
SCHEMBL2207551 0.77 IGF1R (0.38) IGF1RNTRK1NUDT1MAPK13MAPK12
SCHEMBL2209333 0.77 IGF1R (0.38) IGF1RNTRK1NUDT1MAPK13MAPK12
SCHEMBL4074269 0.76 NTRK1 (0.49) NTRK1HTR7
SCHEMBL4889103 0.75 IGF1R (0.39) IGF1RNTRK1IDH1NUDT1MAPK13
SCHEMBL4151807 0.74 NTRK1 (0.54) IGF1RNTRK1

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