SCHEMBL4345859

SCHEMBL4345859

CCCN1Cc2c(Cl)ncnc2N1.CCCn1ncc2c(Cl)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SIGMAR1 Q99720 14/20 0.34
XDH P47989 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2301632 0.84 HTR2A (0.33)
SCHEMBL2303091 0.82 NPC1 (0.51) NPC1RAB9AABL1BCRSIGMAR1
SCHEMBL28645698 0.70 XDH (0.59) ABL1BCRXDHLMNANPSR1
SCHEMBL29863560 0.70 XDH (0.59) ABL1BCRXDHLMNANPSR1
SCHEMBL11595465 0.70 SIGMAR1 (0.43) SIGMAR1XDHLMNA
SCHEMBL11596169 0.68 CYP1A2 (0.55) ABL1BCRSIGMAR1XDHLMNA
SCHEMBL13061230 0.66 NPC1 (0.56) NPC1RAB9AABL1BCRSIGMAR1
SCHEMBL14635580 0.66 SIGMAR1 (0.71) SIGMAR1
SCHEMBL14636547 0.66 SIGMAR1 (0.71) SIGMAR1
SCHEMBL24121794 0.65 SIGMAR1 (0.39) SIGMAR1LMNANPSR1HSD17B10

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-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed