SCHEMBL14733993

SCHEMBL14733993

Cc1ccc(C(=O)Nc2ccc(CN)c(C(F)(F)F)c2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.55
▸ BRAF P15056 8/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ EGFR P00533 7/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ XBP1 P17861 1/20 0.47

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
SCHEMBL24697509 0.90 KIT (0.57) KITBRAFNPC1RAB9AMAPT
SCHEMBL25840028 0.90 KIT (0.57) KITBRAFNPC1RAB9AMAPT
SCHEMBL12518236 0.88 KIT (0.51) KITBRAFNPC1RAB9AMAPT
SCHEMBL16241756 0.87 KIT (0.70) KIT
SCHEMBL25840270 0.83 RAB9A (0.56) KITBRAFNPC1RAB9AMAPT
SCHEMBL12871531 0.80 KIT (0.84) KITBRAFEGFR
SCHEMBL26037408 0.80 TRPV1 (0.54) KITNPC1RAB9AMAPTHTT
SCHEMBL18298084 0.80 KIT (0.71) KITBRAFNPC1RAB9AMAPT
SCHEMBL13660025 0.80 KIT (0.67) KITBRAFHTTEGFR
SCHEMBL25815447 0.78 MAPT (0.51) KITBRAFNPC1RAB9AMAPT

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-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 — — EP disclosed
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