SCHEMBL12438554

SCHEMBL12438554

CC1=NOC(CNc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 19/20 0.49
NTRK1 P04629 4/20 0.44
CDK2 P24941 1/20 0.44
NTRK2 Q16620 1/20 0.44
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL12439773 0.85 IGF1R (0.49) IGF1RNTRK1CDK2NTRK2
SCHEMBL11343803 0.82 IGF1R (0.70) IGF1RNTRK1CDK2NTRK2
SCHEMBL11344519 0.80 IGF1R (0.71) IGF1RNTRK1CDK2NTRK2FGFR1
SCHEMBL12438231 0.79 IGF1R (0.42) IGF1R
SCHEMBL14161970 0.79 IGF1R (0.48) IGF1RNTRK1
SCHEMBL11348777 0.79 IGF1R (0.69) IGF1RNTRK1
SCHEMBL12439842 0.79 IGF1R (0.58) IGF1RNTRK1CDK2NTRK2
SCHEMBL4462307 0.79 IGF1R (0.58) IGF1R
SCHEMBL12427306 0.79 IGF1R (0.58) IGF1RNTRK1FGFR1KDR
SCHEMBL11932346 0.78 IGF1R (0.52) 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-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed