SCHEMBL4500527

SCHEMBL4500527

Bc1ccc(Nc2ncccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 3/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
PDPK1 O15530 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR3 P22607 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
EPHA2 P29317 1/20 0.42

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
SCHEMBL15968669 0.78 AURKA (0.63) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL911 0.78 AURKA (0.63) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL27417170 0.77 MAPT (0.63) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL1120968 0.77 AURKA (0.42) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL27714382 0.77 SCN9A (0.59) NPC1RAB9ACDK2MEN1KMT2A
SCHEMBL3786298 0.77 HPGD (0.54) NPC1MAPTRAB9ACDK1CDK2
SCHEMBL1120994 0.77 PIK3CG (0.51) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL4583809 0.77 RAD52 (0.56) AURKANPC1MAPTMAPK1RAB9A
SCHEMBL4498501 0.77 AURKA (0.63) AURKANPC1MAPTRAB9ACDK2
SCHEMBL29348777 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1

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-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed