SCHEMBL4538684

SCHEMBL4538684

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PTAFR P25105 2/20 0.33
GPR52 Q9Y2T5 1/20 0.31
THRB P10828 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
TGFBR1 P36897 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
TGFBR2 P37173 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL4543548 0.81 PIK3CB (0.44)
SCHEMBL4537899 0.81 PIK3CB (0.43)
SCHEMBL4541825 0.80 PIK3CB (0.43)
SCHEMBL4542555 0.79 PIK3CB (0.44)
SCHEMBL4529997 0.79 PIK3CB (0.44)
SCHEMBL4533432 0.79 PIK3CB (0.44)
SCHEMBL29475045 0.79 PIK3CB (0.44)
SCHEMBL4533089 0.79 PIK3CB (0.40)
SCHEMBL17732058 0.78 P2RX7 (0.37) KDM4EIKBKB
SCHEMBL4538790 0.77 PIK3CB (0.46) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638043-A1 ARYLAMINOALCOHOL-SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINOLINES Bayer Intellectual Property GmbH (DE) 2013-09-18 EP 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
WO-2012062743-A1 ARYLAMINOALCOHOL-SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-18 WO disclosed