SCHEMBL12439403

SCHEMBL12439403

CC1=NOC(CNc2nc(Nc3cc(C)n[nH]3)cc(OCCN(C)C)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.49
HTR6 P50406 1/20 0.41
MAPK1 P28482 2/20 0.32

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
SCHEMBL14050386 0.91 IGF1R (0.49) IGF1RHTR6
SCHEMBL12438570 0.85 IGF1R (0.52) IGF1R
SCHEMBL14161981 0.79 IGF1R (0.53) IGF1RHTR6
SCHEMBL1791382 0.78 IGF1R (0.77) IGF1RHTR6
SCHEMBL14050578 0.77 IGF1R (0.68) IGF1R
SCHEMBL14320002 0.75 IGF1R (0.49) IGF1R
SCHEMBL14162124 0.75 IGF1R (0.49) IGF1R
SCHEMBL12438231 0.74 IGF1R (0.42) IGF1R
SCHEMBL12439839 0.73 IGF1R (0.53) IGF1R
SCHEMBL14050611 0.72 IGF1R (0.46) IGF1RHTR6

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