SCHEMBL5767666

SCHEMBL5767666

COCCOc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CN4CCN(C)CC4)cc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
KDR P35968 1/20 0.40
MAP3K11 Q16584 1/20 0.40
MERTK Q12866 4/20 0.40
MTOR P42345 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
FGFR1 P11362 3/20 0.38
SRC P12931 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
AXL P30530 2/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
HTR6 P50406 1/20 0.37
TNIK Q9UKE5 1/20 0.37

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
SCHEMBL5764733 0.93 KDR (0.45) KDRTLR7FGFR1SRCHRH3
SCHEMBL5764607 0.91 FGFR1 (0.47) KDRTLR7FGFR1SRCHRH3
SCHEMBL5767801 0.89 NTRK1 (0.44) KDRMAP3K11TLR7FGFR1SRC
SCHEMBL5765955 0.87 LTA4H (0.36) KDRMAP3K11FGFR1SRCNTRK1
SCHEMBL5765675 0.87 NTRK1 (0.38) KDRMAP3K11FGFR1SRCNTRK1
SCHEMBL5766984 0.87 NTRK1 (0.38) KDRMAP3K11FGFR1SRCNTRK1
SCHEMBL5767363 0.86 LTA4H (0.39) KDRMAP3K11RAB9AFGFR1HRH3
SCHEMBL5768958 0.86 LTA4H (0.39) KDRMAP3K11RAB9AFGFR1HRH3
SCHEMBL5765132 0.86 MAP3K11 (0.41) CHKAMAP3K11MERTKTLR7NPC1
SCHEMBL5767404 0.85 FGFR1 (0.42) KDRMAP3K11FGFR1SRCNTRK1

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-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed