SCHEMBL5749124

SCHEMBL5749124

Cc1cnc(-c2ccc(C(F)(F)F)nc2)nc1Oc1cc(C(F)(F)F)nn1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TGFBR1 P36897 1/20 0.36
SLC34A1 Q06495 5/20 0.36
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 2/20 0.35
TRPV3 Q8NET8 2/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7247712 0.84 KMT2A (0.52) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL7467157 0.80 KMT2A (0.46) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL7252765 0.79 KMT2A (0.57) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL7250718 0.79 ADORA2A (0.55) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL8709288 0.78 KMT2A (0.46) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL8710420 0.78 KMT2A (0.46) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL5750351 0.71 KMT2A (0.46) KMT2AADORA2AADORA1TGFBR1ALDH1A1
SCHEMBL5746444 0.70 CASP3 (0.45) TRPV3KCNH2
SCHEMBL5781141 0.69 KMT2A (0.53) KMT2AADORA2AADORA1TGFBR1GPR119
SCHEMBL8932304 0.69 ADORA2A (0.51) KMT2AADORA2AADORA1TGFBR1GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902026-B1 Herbicidal 2-azinyl-6-aryloxypyr(mi)dines BASF AG (DE) 2006-04-12 EP disclosed
EP-0902026-A1 Herbicidal 2-azinyl-6-aryloxypyr (mi) dines American Cyanamid Company (US) 1999-03-17 EP disclosed