SCHEMBL4728758

SCHEMBL4728758

COc1cc2cncnc2cc1OCCc1nc2ccccc2n1C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
TP53 P04637 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 3/20 0.45
PDE10A Q9Y233 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4728717 0.95 RAB9A (0.52) RAB9ATP53HTTSMN1; SMN2NPC1
SCHEMBL4729633 0.75 EGFR (0.51) RAB9ATP53HTTSMN1; SMN2NPC1
SCHEMBL4726716 0.75 RAB9A (0.46) RAB9ATP53HTTSMN1; SMN2NPC1
SCHEMBL4727754 0.75 EGFR (0.45) RAB9ATP53HTTPDE10AMAPT
SCHEMBL4728986 0.75 EGFR (0.45) RAB9ATP53HTTPDE10AMAPT
SCHEMBL6000263 0.74 EGFR (0.46) SMN1; SMN2
SCHEMBL30000483 0.74 ENPP1 (0.59) SMN1; SMN2PDE10A
SCHEMBL241727 0.73 EGFR (0.58) SMN1; SMN2
SCHEMBL30555608 0.73 PDGFRB (0.65) HTTSMN1; SMN2MAPTLMNA
SCHEMBL5682691 0.72 ENPP1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed