SCHEMBL27907974

SCHEMBL27907974

O=C(Cc1ccccc1Br)Nc1cc(-c2ccccc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.60
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ EGFR P00533 1/20 0.53
▸ ANO1 Q5XXA6 1/20 0.53
▸ RIOK2 Q9BVS4 2/20 0.51
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ MAPK8 P45983 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ GLS O94925 1/20 0.44
▸ FDPS P14324 1/20 0.44

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
SCHEMBL27926052 0.85 RIOK2 (0.63) MEN1KMT2ARAB9AANO1RIOK2
SCHEMBL27925926 0.83 RAB9A (0.62) MEN1KMT2ARAB9AANO1RIOK2
SCHEMBL27907982 0.81 GAA (0.63) MEN1KMT2ARAB9AANO1SLC6A2
SCHEMBL27925932 0.81 WNT3A (0.59) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL2185880 0.78 WNT3A (0.69) WNT3AANO1CA12CA1CA2
SCHEMBL17872892 0.76 EGFR (0.69) WNT3AMEN1KMT2ARAB9AEGFR
SCHEMBL1726072 0.75 WNT3A (1.00) WNT3AMEN1KMT2ARAB9ARIOK2
SCHEMBL31240718 0.73 RIOK2 (0.60) RAB9AANO1RIOK2MAPK8MAPK10
SCHEMBL28762298 0.73 CA12 (0.70) MEN1KMT2ARAB9AANO1MAPK8
SCHEMBL24932350 0.72 EGFR (0.61) WNT3AMEN1KMT2ARAB9AEGFR

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
CN-103172636-A Pyridine-quinazolinone compound and preparation method thereof UNIV SHANGHAI 2013-06-26 — — CN disclosed
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