SCHEMBL11080420

SCHEMBL11080420

O=C(O)c1ccc2nc3n(c(=O)c2c1)CCC3=Cc1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.86
MEN1 O00255 8/20 0.86
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 2/20 0.59
THRB P10828 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
MCL1 Q07820 1/20 0.58
NME2 P22392 3/20 0.52

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
SCHEMBL11080417 1.00 KMT2A (0.86) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080252 0.95 KMT2A (0.78) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080254 0.95 KMT2A (0.78) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080648 0.90 KMT2A (0.71) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080652 0.90 KMT2A (0.71) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080441 0.90 KMT2A (0.70) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11080439 0.90 KMT2A (0.70) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11083260 0.85 KMT2A (0.87) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11083256 0.85 KMT2A (0.87) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11088364 0.85 POLB (0.66) KMT2AMEN1MAPTKDM4ERAB9A

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