SCHEMBL6012960

SCHEMBL6012960

COc1c(OCC(CN2CCSCC2)N=O)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.42
CHRM4 P08173 1/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5979508 0.92 PIK3CB (0.42) PIK3CBMAPT
SCHEMBL4564467 0.91 PIK3CB (0.49) PIK3CB
SCHEMBL4565205 0.85 PIK3CB (0.48) PIK3CB
SCHEMBL4565204 0.85 PIK3CB (0.48) PIK3CB
SCHEMBL4565471 0.85 PIK3CB (0.48) PIK3CBABCB1
SCHEMBL4565470 0.85 PIK3CB (0.48) PIK3CBABCB1
SCHEMBL4565319 0.84 PIK3CB (0.48) PIK3CBABCB1
SCHEMBL4565313 0.84 PIK3CB (0.48) PIK3CBABCB1
SCHEMBL5980921 0.84 SMN1; SMN2 (0.37) PIK3CBMAPT
SCHEMBL4564651 0.83 PIK3CB (0.49) PIK3CBABCB1

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
WO-2012062745-A1 ALKOXY-SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-18 WO disclosed