SCHEMBL14486246

SCHEMBL14486246

Cc1ccc(Nc2ncc(C3CN(C=O)CCO3)c3c(C)cccc23)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.38
AURKB Q96GD4 1/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
TYK2 P29597 1/20 0.33
SYK P43405 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
JAK2 O60674 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL14486540 0.93 MAPT (0.34) AURKBMAPTSMN1; SMN2SYKJAK2
SCHEMBL14485991 0.91 MAPT (0.41) MAPTSMN1; SMN2TP53KDM4EGAA
SCHEMBL12476504 0.90 EPHA2 (0.36) MAPTSMN1; SMN2JAK2
SCHEMBL14485801 0.85 CFTR (0.32) TP53
SCHEMBL14486308 0.85 EGFR (0.36) TP53
SCHEMBL14485965 0.83 LMNA (0.35) MAPTMEN1KMT2ATP53
SCHEMBL14485943 0.82 RAB9A (0.43) RAB9AKDM4E
SCHEMBL14485948 0.81 CNR2 (0.33) MAPTNPC1RAB9ATHRB
SCHEMBL14485837 0.80 KDR (0.41) MAPTTP53
SCHEMBL14486536 0.79 SMN1; SMN2 (0.31) SMN1; SMN2

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
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US claimed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO claimed