SCHEMBL11085206

SCHEMBL11085206

Nc1ccc2nc3n(c(=O)c2c1)CC/C3=C\c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
NME2 P22392 4/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 1/20 0.48
BLM P54132 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL11085210 1.00 MEN1 (0.66) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11081325 0.91 KMT2A (0.72) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11081320 0.91 KMT2A (0.72) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11083341 0.90 RAB9A (0.55) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11083339 0.90 RAB9A (0.55) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11081499 0.90 NPC1 (0.57) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11081502 0.90 NPC1 (0.57) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11084764 0.87 MEN1 (0.66) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11084767 0.87 MEN1 (0.66) MEN1KMT2ANME2RAB9ANPC1
SCHEMBL11090209 0.86 CCR3 (0.61) MEN1KMT2ANME2RAB9ANPC1

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-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 US disclosed