SCHEMBL5765675

SCHEMBL5765675

COCCOc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CN4C[C@@H](O)[C@H](O)C4)cc3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.38
FLT3 P36888 2/20 0.38
KDR P35968 2/20 0.36
FGFR1 P11362 8/20 0.36
SRC P12931 5/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
MIF P14174 3/20 0.35
BRAF P15056 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
ULK1 O75385 1/20 0.34
STK10 O94804 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
LATS1 O95835 1/20 0.34
PAK4 O96013 1/20 0.34
LCK P06239 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL5766984 1.00 NTRK1 (0.38) NTRK1FLT3KDRFGFR1SRC
SCHEMBL5765955 0.95 LTA4H (0.36) NTRK1FLT3KDRFGFR1SRC
SCHEMBL5768958 0.90 LTA4H (0.39) NTRK1FLT3KDRFGFR1IRAK4
SCHEMBL5767363 0.90 LTA4H (0.39) NTRK1FLT3KDRFGFR1IRAK4
SCHEMBL5764733 0.89 KDR (0.45) NTRK1FLT3KDRFGFR1SRC
SCHEMBL5767666 0.87 CHKA (0.41) NTRK1FLT3KDRFGFR1SRC
SCHEMBL5767801 0.87 NTRK1 (0.44) NTRK1FLT3KDRFGFR1SRC
SCHEMBL5764607 0.87 FGFR1 (0.47) KDRFGFR1SRC
SCHEMBL5767092 0.86 IRAK4 (0.40) NTRK1FLT3FGFR1SRCS1PR1
SCHEMBL5765588 0.86 IRAK4 (0.40) NTRK1FLT3FGFR1SRCS1PR1

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