SCHEMBL4533089

SCHEMBL4533089

COc1c(OCC(O)CN2CCSCC2)ccc2c1N=C(c1ncccc1C(N)=O)N1CCN=C21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 6/20 0.40
HRH1 P35367 9/20 0.39
ABCB1 P08183 4/20 0.35

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
SCHEMBL4537899 0.94 PIK3CB (0.43) PIK3CBHRH1ABCB1
SCHEMBL4541825 0.93 PIK3CB (0.43) PIK3CBHRH1ABCB1
SCHEMBL4542555 0.91 PIK3CB (0.44) PIK3CBHRH1ABCB1
SCHEMBL4529997 0.91 PIK3CB (0.44) PIK3CBHRH1ABCB1
SCHEMBL4533432 0.91 PIK3CB (0.44) PIK3CBHRH1ABCB1
SCHEMBL29475045 0.91 PIK3CB (0.44) PIK3CBHRH1ABCB1
SCHEMBL4538790 0.88 PIK3CB (0.46) PIK3CBHRH1
SCHEMBL4538785 0.88 PIK3CB (0.46) PIK3CBHRH1
SCHEMBL4543548 0.86 PIK3CB (0.44) PIK3CBHRH1ABCB1
SCHEMBL4564467 0.79 PIK3CB (0.49) PIK3CBHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638045-A1 AMINOALCOHOL SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Intellectual Property GmbH (DE) 2013-09-18 EP disclosed
WO-2012062748-A1 AMINOALCOHOL SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-18 WO disclosed