SCHEMBL2018078

SCHEMBL2018078

COC(=O)N1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
HTT P42858 7/20 0.52
NPSR1 Q6W5P4 6/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 2/20 0.52
MPI P34949 1/20 0.52
ALDH1A1 P00352 5/20 0.46
SMO Q99835 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 2/20 0.42
METAP2 P50579 2/20 0.41
LMNA P02545 6/20 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
SCHEMBL2016046 0.89 SMO (0.49) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2017182 0.86 HTT (0.47) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2012009 0.84 MAPT (0.46) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2012195 0.84 ALDH1A1 (0.44) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2015402 0.84 AKR1C3 (0.43) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2014194 0.83 L3MBTL1 (0.48) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2016559 0.83 IDE (0.45) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2017795 0.82 MEN1 (0.52) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL2011832 0.82 L3MBTL1 (0.50) MAPTHTTNPSR1KMT2ARAB9A
SCHEMBL2016546 0.82 KDM4E (0.53) MAPTHTTNPSR1KMT2ARAB9A

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