SCHEMBL4565205

SCHEMBL4565205

COc1c(OC[C@@H](O)CN2CCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.48
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
AURKA O14965 1/20 0.38

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
SCHEMBL4565204 1.00 PIK3CB (0.48) PIK3CBPRMT5WDR77AURKA
SCHEMBL4565470 0.99 PIK3CB (0.48) PIK3CBPRMT5WDR77AURKA
SCHEMBL4565471 0.99 PIK3CB (0.48) PIK3CBPRMT5WDR77AURKA
SCHEMBL4565319 0.98 PIK3CB (0.48) PIK3CBPRMT5WDR77AURKA
SCHEMBL4565313 0.98 PIK3CB (0.48) PIK3CBPRMT5WDR77AURKA
SCHEMBL4564651 0.94 PIK3CB (0.49) PIK3CBPRMT5WDR77
SCHEMBL4564652 0.94 PIK3CB (0.49) PIK3CBPRMT5WDR77
SCHEMBL4564467 0.94 PIK3CB (0.49) PIK3CBPRMT5WDR77AURKA
SCHEMBL1656696 0.94 PIK3CB (0.49) PIK3CBPRMT5WDR77
SCHEMBL16798255 0.90 PIK3CB (0.46) PIK3CBPRMT5WDR77AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016087488-A1 ADMINISTRATION REGIME FOR AMINOALCOHOL SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 WO claimed
EP-3077003-A1 COMBINATION OF PI3K-INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-12 EP disclosed
WO-2016087490-A1 COMBINATION OF PI3K-INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2015082378-A1 COMBINATION OF PI3K-INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-11 WO disclosed
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