SCHEMBL4542989

SCHEMBL4542989

COc1c(OC[C@H](O)CN2CCOCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21.COc1c(OC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.48
MAPK1 P28482 1/20 0.37
ABCB1 P08183 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL4543104 1.00 PIK3CB (0.48) PIK3CBMAPK1ABCB1PRMT5WDR77
SCHEMBL16798230 1.00 PIK3CB (0.48) PIK3CBMAPK1ABCB1PRMT5WDR77
SCHEMBL4560883 0.96 PIK3CB (0.51) PIK3CBMAPK1PRMT5WDR77
SCHEMBL4560885 0.96 PIK3CB (0.51) PIK3CBMAPK1PRMT5WDR77
SCHEMBL4564652 0.94 PIK3CB (0.49) PIK3CBABCB1PRMT5WDR77
SCHEMBL4564651 0.94 PIK3CB (0.49) PIK3CBABCB1PRMT5WDR77
SCHEMBL1656696 0.94 PIK3CB (0.49) PIK3CBABCB1PRMT5WDR77
SCHEMBL17802190 0.93 PIK3CB (0.49) PIK3CBMAPK1PRMT5WDR77
SCHEMBL16798456 0.92 PIK3CB (0.42) PIK3CBABCB1
SCHEMBL16798430 0.92 PIK3CB (0.42) 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 3 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 claimed
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 claimed
WO-2015082376-A2 USE OF PI3K-INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-11 WO disclosed