SCHEMBL14009092

SCHEMBL14009092

CNC(=O)c1cc(Cc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.56
CDK8 P49336 2/20 0.56
KDR P35968 5/20 0.55
BRAF P15056 7/20 0.52
RAF1 P04049 6/20 0.52
RET P07949 3/20 0.52
MAPK14 Q16539 3/20 0.52
EPHX2 P34913 3/20 0.52
AURKB Q96GD4 2/20 0.52
RIPK2 O43353 2/20 0.52
ABCB11 O95342 2/20 0.52
ABL1 P00519 2/20 0.52
HTR1A P08908 2/20 0.52
PDGFRB P09619 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
KIT P10721 2/20 0.52
FGFR1 P11362 2/20 0.52
PDGFRA P16234 2/20 0.52
FLT1 P17948 2/20 0.52
MAOA P21397 2/20 0.52

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
SCHEMBL13300975 0.85 KDR (0.76) CCNCCDK8KDRBRAFRAF1
SCHEMBL22754641 0.83 CCNC (0.54) CCNCCDK8KDRBRAFRAF1
SCHEMBL10324287 0.82 RAF1 (0.75) CCNCCDK8KDRBRAFRAF1
SCHEMBL20118148 0.78 PARP1 (0.52) CCNCCDK8KDRBRAFRAF1
SCHEMBL171188 0.78 RAF1 (0.61) CCNCCDK8KDRBRAFRAF1
SCHEMBL10105571 0.76 RAF1 (0.66) CCNCCDK8KDRBRAFRAF1
SCHEMBL14550467 0.75 RAF1 (0.66) CCNCCDK8KDRBRAFRAF1
SCHEMBL14481178 0.75 RAF1 (0.71) CCNCCDK8KDRBRAFRAF1
SCHEMBL10105574 0.75 RAF1 (0.64) CCNCCDK8KDRBRAFRAF1
SCHEMBL15218621 0.74 BRAF (0.50) CCNCCDK8KDRBRAFRAF1

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-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed