SCHEMBL9926369

SCHEMBL9926369

C=C(Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.85
KDR P35968 6/20 0.68
BRAF P15056 4/20 0.67
RET P07949 3/20 0.67
GSK3B P49841 2/20 0.67
AURKB Q96GD4 2/20 0.67
RIPK2 O43353 2/20 0.67
ABCB11 O95342 2/20 0.67
ABL1 P00519 2/20 0.67
HTR1A P08908 2/20 0.67
PDGFRB P09619 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
KIT P10721 2/20 0.67
FGFR1 P11362 2/20 0.67
PDGFRA P16234 2/20 0.67
FLT1 P17948 2/20 0.67
MAOA P21397 2/20 0.67
EPHA1 P21709 2/20 0.67
TBXA2R P21731 2/20 0.67
EPHA2 P29317 2/20 0.67

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
SCHEMBL29918250 0.92 RAF1 (1.00) RAF1KDRBRAFRETGSK3B
SCHEMBL548133 0.92 RAF1 (1.00) RAF1KDRBRAFRETGSK3B
SCHEMBL9926366 0.88 RAF1 (0.85) RAF1KDRBRAFRETGSK3B
SCHEMBL16628137 0.86 RAF1 (0.79) RAF1KDRBRAFRETGSK3B
SCHEMBL8164609 0.86 RAF1 (0.63) RAF1KDRBRAFRETGSK3B
SCHEMBL6123385 0.85 RAF1 (0.77) RAF1KDRBRAFRETGSK3B
SCHEMBL3405012 0.84 RAF1 (0.85) RAF1KDRBRAFRETGSK3B
SCHEMBL939087 0.84 RAF1 (0.85) RAF1KDRBRAFRETGSK3B
SCHEMBL3408496 0.84 RAF1 (0.85) RAF1KDRBRAFRETGSK3B
SCHEMBL3539204 0.84 RAF1 (0.81) RAF1KDRBRAFRETGSK3B

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-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP disclosed