SCHEMBL5312671

SCHEMBL5312671

CCNC(=O)Nc1ccc(Oc2ccnc3cc(OCC(O)CN(CC)CC)c(C(=O)NCC)cc23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.49
PDGFRA P16234 9/20 0.49
FLT1 P17948 5/20 0.49
FLT4 P35916 5/20 0.49
RET P07949 5/20 0.49
KIT P10721 5/20 0.49
FGFR1 P11362 5/20 0.49
FGFR4 P22455 5/20 0.49
FGFR2 P21802 4/20 0.49
AURKB Q96GD4 3/20 0.49
PDGFRB P09619 3/20 0.49
FGFR3 P22607 3/20 0.49
RIPK2 O43353 2/20 0.49
STK10 O94804 2/20 0.49
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
SLC6A3 Q01959 2/20 0.49
DDR1 Q08345 2/20 0.49
MAP4K2 Q12851 2/20 0.49
PTK6 Q13882 2/20 0.49

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
SCHEMBL1893766 1.00 KDR (0.49) KDRPDGFRAFLT1FLT4RET
SCHEMBL1893767 1.00 KDR (0.49) KDRPDGFRAFLT1FLT4RET
SCHEMBL1893029 0.95 KDR (0.48) KDRPDGFRAFLT1FLT4RET
SCHEMBL1248445 0.95 KDR (0.48) KDRPDGFRAFLT1FLT4RET
SCHEMBL1893032 0.95 KDR (0.48) KDRPDGFRAFLT1FLT4RET
SCHEMBL1248449 0.95 KDR (0.48) KDRPDGFRAFLT1FLT4RET
SCHEMBL12673816 0.92 KDR (0.47) KDRPDGFRAFLT1FLT4RET
SCHEMBL1250646 0.90 KDR (0.49) KDRPDGFRAFLT1FLT4RET
SCHEMBL1250643 0.90 KDR (0.49) KDRPDGFRAFLT1FLT4RET
SCHEMBL14693181 0.90 KDR (0.45) KDRPDGFRAFLT1FLT4RET

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-1415987-B1 NITROGENOUS AROMATIC RING COMPOUNDS AS ANTI CANCER AGENTS EISAI R&D MAN CO LTD (JP) 2007-02-28 EP disclosed