SCHEMBL4565014

SCHEMBL4565014

COc1c(OC[C@@H](O)CN2CCCC2)ccc2c1N=C(N)N1CCN=C21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 1/20 0.41
PTPN1 P18031 2/20 0.40
ABCB1 P08183 7/20 0.40
ATM Q13315 1/20 0.40
CYP2C19 P33261 1/20 0.39
ADRB2 P07550 1/20 0.39
PIK3CB P42338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 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
SCHEMBL4565013 1.00 KDM4E (0.43) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL4543222 0.99 KDM4E (0.45) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL4543219 0.99 KDM4E (0.45) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL4565402 0.98 KDM4E (0.41) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL4565403 0.98 KDM4E (0.41) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL24632233 0.89 DRD4 (0.33) KDM4EPOLBMEN1NPC1KMT2A
SCHEMBL4565209 0.88 L3MBTL1 (0.47) KDM4EPOLBMEN1KMT2ATSHR
SCHEMBL4564946 0.88 L3MBTL1 (0.47) KDM4EPOLBMEN1KMT2ATSHR
SCHEMBL6730780 0.87 PIK3CB (0.45) MEN1KMT2ATSHRPTPN1PIK3CB
SCHEMBL29824477 0.87 PIK3CB (0.45) MEN1KMT2ATSHRPTPN1PIK3CB

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