SCHEMBL6280310

SCHEMBL6280310

FC(F)(F)c1cccc(-c2nc(-c3ccncc3)cc3nncn23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPK14 Q16539 2/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41

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
SCHEMBL6280307 0.83 KDM4E (0.57) KDM4EHSD17B10NPC1RAB9AMAPK14
SCHEMBL11386388 0.79 KDM4E (0.54) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL6277021 0.75 BCHE (0.39) KDM4EHSD17B10NPC1RAB9AMAPK14
SCHEMBL6279167 0.75 KDR (0.39) KDM4ERAB9AHPGD
SCHEMBL3881826 0.71 KIF11 (0.67) NPC1RAB9AMAPK14MAPK13RAF1
SCHEMBL9725474 0.69 NPC1 (0.50) KDM4EHSD17B10NPC1RAB9AMAPK14
SCHEMBL5788335 0.68 MAPK11 (0.42) KDM4EHSD17B10NPC1RAB9AMAPK14
SCHEMBL1925218 0.68 NPC1 (0.44) KDM4ENPC1RAB9AMAPK14MAPK13
SCHEMBL11625891 0.67 ALDH1A1 (0.59) KDM4EHSD17B10NPC1ALDH1A1CYP1A2
SCHEMBL17014793 0.65 KDM4E (0.69) KDM4ENPC1RAB9AALDH1A1

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
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 — — US disclosed
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