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SCHEMBL5764733

SCHEMBL5764733

COCCOc1ccc2c(c1)ncn2-c1ccc2cc(-c3ccc(CN4CCCC4)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.45
▸ NTRK1 P04629 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ HRH3 Q9Y5N1 7/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ FGFR1 P11362 5/20 0.37
▸ SRC P12931 3/20 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
SCHEMBL5767666 0.93 CHKA (0.41) KDRNTRK1FLT3HRH3MCHR1
SCHEMBL5764607 0.92 FGFR1 (0.47) KDRHRH3MCHR1TLR7FGFR1
SCHEMBL5767801 0.91 NTRK1 (0.44) KDRNTRK1FLT3TLR7FGFR1
SCHEMBL5766984 0.89 NTRK1 (0.38) KDRNTRK1FLT3FGFR1SRC
SCHEMBL5765675 0.89 NTRK1 (0.38) KDRNTRK1FLT3FGFR1SRC
SCHEMBL5765955 0.89 LTA4H (0.36) KDRNTRK1FLT3FGFR1SRC
SCHEMBL5767363 0.88 LTA4H (0.39) KDRNTRK1FLT3HRH3MCHR1
SCHEMBL5768958 0.88 LTA4H (0.39) KDRNTRK1FLT3HRH3MCHR1
SCHEMBL5767404 0.86 FGFR1 (0.42) KDRNTRK1FLT3FGFR1SRC
SCHEMBL5763022 0.85 NTRK1 (0.42) KDRNTRK1FLT3HRH3MCHR1

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