SCHEMBL20124547

SCHEMBL20124547

COc1ccc(Nc2cccc(OCCN3CCOCC3)ccc(Cl)c(C)n2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.50
KDR P35968 1/20 0.50
EPHB4 P54760 1/20 0.50
NPC1 O15118 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
SRC P12931 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 1/20 0.47
SYK P43405 2/20 0.46
EGFR P00533 4/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
BCL6 P41182 1/20 0.45
RAF1 P04049 1/20 0.44
ERBB2 P04626 1/20 0.44
PDE2A O00408 1/20 0.44

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
SCHEMBL9972390 0.80 KDR (0.56) EPHA2KDREPHB4SRCACHE
SCHEMBL9939708 0.76 KDR (0.51) EPHA2KDREPHB4JAK3SRC
SCHEMBL22135125 0.73 KDR (0.49) EPHA2KDREPHB4JAK3SRC
SCHEMBL374465 0.71 FGFR3 (0.62) KDREPHB4SRCEGFRRAF1
SCHEMBL30213768 0.71 EGFR (0.51) JAK2JAK3PTK2EGFRHTR2B
SCHEMBL30213748 0.70 EGFR (0.62) EGFRERBB2
SCHEMBL3654890 0.70 RAF1 (0.47) KDREPHB4JAK2JAK3PTK2
SCHEMBL3401694 0.70 ALDH1A1 (0.54) KDRSRCKDM4EALDH1A1HTR2C
SCHEMBL19089351 0.69 ALDH1A1 (0.59) EPHA2KDREPHB4NPC1KDM4E
SCHEMBL4209736 0.69 EPHX2 (0.54) NPC1SRCKDM4EALDH1A1SYK

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-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed