SCHEMBL2013342

SCHEMBL2013342

Cc1noc(C)c1C(=O)N1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 3/20 0.42
NPC1 O15118 1/20 0.42
MPI P34949 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL2014858 0.88 KDM4E (0.55) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2012835 0.86 ALDH1A1 (0.52) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163199 0.84 KDM4E (0.56) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2163603 0.84 KDM4E (0.53) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2015884 0.83 KDM4E (0.42) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2012009 0.82 MAPT (0.46) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2015402 0.82 AKR1C3 (0.43) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2014194 0.81 L3MBTL1 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2017182 0.80 HTT (0.47) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2018078 0.80 MAPT (0.52) KDM4ESMN1; SMN2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed