SCHEMBL171364

SCHEMBL171364

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(Cl)cc3O)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.64
MAPK14 Q16539 4/20 0.51
RAF1 P04049 8/20 0.49
KDR P35968 7/20 0.49
P2RX3 P56373 4/20 0.48
EPHX2 P34913 4/20 0.48
BRAF P15056 4/20 0.48
RIPK2 O43353 2/20 0.48
ABCB11 O95342 2/20 0.48
ABL1 P00519 2/20 0.48
RET P07949 2/20 0.48
HTR1A P08908 2/20 0.48
PDGFRB P09619 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
KIT P10721 2/20 0.48
FGFR1 P11362 2/20 0.48
PDGFRA P16234 2/20 0.48
FLT1 P17948 2/20 0.48
MAOA P21397 2/20 0.48
EPHA1 P21709 2/20 0.48

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
SCHEMBL15573069 0.92 DDR2 (0.65) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL13603632 0.89 DDR2 (0.72) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL15574740 0.89 DDR2 (0.71) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL15574169 0.87 DDR2 (0.82) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL15575325 0.86 DDR2 (0.59) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL13603493 0.85 DDR2 (0.61) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL15574727 0.85 MAPK14 (0.58) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL13603483 0.84 DDR2 (0.56) DDR2MAPK14RAF1KDRP2RX3
SCHEMBL15574158 0.84 DDR2 (0.58) DDR2MAPK14RAF1KDREPHX2
SCHEMBL13603494 0.83 DDR2 (0.61) DDR2MAPK14RAF1KDREPHX2

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-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed