SCHEMBL1659083

SCHEMBL1659083

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(Cl)ccc3F)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.64
KDR P35968 16/20 0.57
BRAF P15056 4/20 0.54
FLT1 P17948 4/20 0.51
EPHX2 P34913 3/20 0.50
RIPK2 O43353 2/20 0.50
ABCB11 O95342 2/20 0.50
ABL1 P00519 2/20 0.50
RET P07949 2/20 0.50
HTR1A P08908 2/20 0.50
PDGFRB P09619 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
KIT P10721 2/20 0.50
FGFR1 P11362 2/20 0.50
PDGFRA P16234 2/20 0.50
MAOA P21397 2/20 0.50
EPHA1 P21709 2/20 0.50
TBXA2R P21731 2/20 0.50
EPHA2 P29317 2/20 0.50
TTK P33981 2/20 0.50

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
SCHEMBL1660418 0.91 MAPK14 (0.54) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1660245 0.91 RAF1 (0.68) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1662348 0.89 RAF1 (0.58) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1660436 0.88 RAF1 (0.67) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1661121 0.87 RAF1 (0.61) RAF1KDRPDGFRADDR2MEN1
SCHEMBL1662296 0.87 RAF1 (0.64) RAF1KDRBRAFABL1RET
SCHEMBL1660130 0.86 RAF1 (0.58) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1660260 0.84 MAPK14 (0.60) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1662382 0.81 DDR2 (0.51) RAF1KDRBRAFFLT1EPHX2
SCHEMBL1660163 0.80 RAF1 (0.66) RAF1KDRBRAFFLT1EPHX2

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
WO-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed