SCHEMBL12336574

SCHEMBL12336574

COc1ccc2c(Oc3cccc(-c4nnc(NC5=CC(C(F)(F)F)CC=C5)o4)c3)ccnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.41
▸ KDR P35968 5/20 0.41
▸ AURKA O14965 4/20 0.41
▸ TEK Q02763 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ IDO1 P14902 6/20 0.39
▸ NR1I2 O75469 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AURKB Q96GD4 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LCK P06239 1/20 0.36

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
SCHEMBL12336429 0.79 KDR (0.49) METKDRAURKATEKKDM4E
SCHEMBL14949327 0.77 KDR (0.48) METKDRAURKATEKKDM4E
SCHEMBL12336407 0.73 GSK3B (0.53) KDRIDO1NR1I2KDM4ESMN1; SMN2
SCHEMBL14949193 0.70 KDR (0.51) METKDRAURKATEKSMN1; SMN2
SCHEMBL14949498 0.69 GSK3B (0.45) METKDRAURKATEKIDO1
SCHEMBL12336740 0.68 KIT (0.34) —
SCHEMBL12336393 0.68 ALK (0.36) METKDRTEKFGFR2
SCHEMBL12336431 0.68 KDR (0.54) KDRKDM4EMAPT
SCHEMBL12337047 0.67 TRPA1 (0.43) KDRIDO1
SCHEMBL14949335 0.67 KDM4E (0.43) KDRIDO1KDM4ESMN1; SMN2NPC1

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
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 — — WO disclosed
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