SCHEMBL3869976

SCHEMBL3869976

N#Cc1ccnc(CCCl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
CLK4 Q9HAZ1 1/20 0.37
GRM5 P41594 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
PDE5A O76074 1/20 0.34
CYP19A1 P11511 1/20 0.33
GAK O14976 2/20 0.33
RIPK2 O43353 2/20 0.33
COQ8A Q8NI60 2/20 0.33
NLK Q9UBE8 2/20 0.33
IDH1 O75874 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HRH1 P35367 1/20 0.32
HTR6 P50406 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
SCHEMBL18078827 0.85 MBOAT4 (0.40) CCNCCDK8MBOAT4CLK4GRM5
SCHEMBL30607265 0.85 MBOAT4 (0.40) CCNCCDK8MBOAT4CLK4GRM5
Hydrochloric Acid SCHEMBL29088315 0.83 MBOAT4 (0.39) CCNCCDK8MBOAT4CLK4GRM5
SCHEMBL3870198 0.81 CCNC (0.40) CCNCCDK8MBOAT4CLK4LMNA
SCHEMBL7219031 0.81 KDM4E (0.49) CCNCCDK8MBOAT4LMNACYP19A1
SCHEMBL4963448 0.79 MBOAT4 (0.40) CCNCCDK8MBOAT4LMNACYP19A1
SCHEMBL22637777 0.77 MBOAT4 (0.39) CCNCCDK8MBOAT4CLK4PDE5A
SCHEMBL29069480 0.77 CCNC (0.37) CCNCCDK8MBOAT4CLK4LMNA
SCHEMBL13738243 0.77 CCNC (0.37) CCNCCDK8MBOAT4CLK4LMNA
SCHEMBL481078 0.77 NOTUM (0.43) CCNCCDK8MBOAT4CLK4LMNA

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-2069364-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO disclosed