SCHEMBL6311161

SCHEMBL6311161

CNC(=O)c1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.66
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
EGFR P00533 1/20 0.57
INSR P06213 1/20 0.57
MET P08581 1/20 0.57
CDK2 P24941 1/20 0.57
KDR P35968 1/20 0.57
TEK Q02763 1/20 0.57
AURKA O14965 2/20 0.54

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
SCHEMBL6312556 0.90 IGF1R (0.69) IGF1RNPC1RAB9AEGFRINSR
SCHEMBL6311579 0.80 AURKA (0.73) IGF1RNPC1RAB9AEGFRINSR
SCHEMBL25881301 0.79 MAP3K5 (0.66) KDR
SCHEMBL30512115 0.79 MAP3K5 (0.66) KDR
SCHEMBL6319730 0.79 IGF1R (0.71) IGF1RNPC1RAB9AEGFRINSR
SCHEMBL4874875 0.78 NPC1 (0.56) NPC1RAB9AAURKA
SCHEMBL6642791 0.77 IGF1R (0.71) IGF1RNPC1RAB9AEGFRINSR
SCHEMBL27846061 0.76 NPC1 (0.54) NPC1RAB9AMETKDR
SCHEMBL2299253 0.76 SCN9A (0.57) NPC1RAB9AKDRAURKA
SCHEMBL6312944 0.75 IGF1R (0.67) IGF1REGFRINSRMETCDK2

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
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed