SCHEMBL5767045

SCHEMBL5767045

CNCc1ccc(-c2ccc3nc(-n4cnc5cc(OCCOC)ccc54)ccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.39
FGFR1 P11362 8/20 0.39
SRC P12931 4/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MIF P14174 3/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NTRK1 P04629 1/20 0.34
FLT3 P36888 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
SCHEMBL5766162 0.91 KDR (0.46) FGFR1KDRKDM4EALDH1A1MAPT
SCHEMBL5767694 0.90 MAPT (0.42) FGFR1SRCKDRKDM4EALDH1A1
SCHEMBL5767404 0.89 FGFR1 (0.42) BRAFFGFR1SRCKDRMIF
SCHEMBL5767103 0.89 BRAF (0.40) BRAFFGFR1SRCKDRKDM4E
SCHEMBL5767448 0.87 FGFR1 (0.45) BRAFFGFR1SRCKDRMIF
SCHEMBL5767029 0.87 MIF (0.48) BRAFFGFR1SRCKDRMIF
SCHEMBL5766820 0.85 FGFR1 (0.54) BRAFFGFR1SRCKDRMIF
SCHEMBL5764733 0.85 KDR (0.45) FGFR1SRCKDRNTRK1FLT3
SCHEMBL5764876 0.85 IRAK4 (0.40) FGFR1SRCKDRKDM4EALDH1A1
SCHEMBL5767666 0.83 CHKA (0.41) FGFR1SRCKDRHPGDNTRK1

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