SCHEMBL13680682

SCHEMBL13680682

Cc1cccc(-c2cnc(N3CCOCC3)nc2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.52
PIK3R1 P27986 4/20 0.52
CNR2 P34972 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52
MAPT P10636 1/20 0.49
AOC3 Q16853 4/20 0.46
MAP3K12 Q12852 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MTOR P42345 5/20 0.45
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13680684 0.87 HRH3 (0.46) CNR2AOC3ALDH1A1POLB
SCHEMBL23243798 0.83 PIK3CA (0.52) PIK3CAPIK3R1CNR2PIK3CDPIK3CB
SCHEMBL13680685 0.83 KCNH2 (0.49) MAPTALDH1A1KCNH2
SCHEMBL24721063 0.82 PIK3CA (0.49) PIK3CAPIK3R1CNR2PIK3CDPIK3CB
SCHEMBL1309697 0.79 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBALDH1A1
SCHEMBL19496787 0.79 AOC3 (0.51) PIK3CAPIK3R1CNR2PIK3CDPIK3CB
SCHEMBL13680654 0.75 AOC3 (0.54) PIK3CACNR2MAPTAOC3ALDH1A1
SCHEMBL15344111 0.75 PIK3CA (0.53) PIK3CAPIK3R1CNR2PIK3CDPIK3CB
SCHEMBL18117983 0.75 ALDH1A1 (0.53) PIK3CAPIK3R1PIK3CDPIK3CBMAPT
SCHEMBL12270084 0.72 BRD9 (0.49) CNR2PIK3CBMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed