SCHEMBL7929299

SCHEMBL7929299

Cc1cn2cc(C(=O)Nc3ccc(N)nc3)cc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNE1 P15382 2/20 0.43
KCNQ1 P51787 2/20 0.43
MAPK10 P53779 2/20 0.42
KCNQ5 Q9NR82 1/20 0.40
GRM5 P41594 1/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 2/20 0.40
KIT P10721 2/20 0.40
ATR Q13535 1/20 0.40
PLAU P00749 1/20 0.40
CSF1R P07333 2/20 0.39
BRAF P15056 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
JAK2 O60674 2/20 0.39
CYP3A4 P08684 1/20 0.39
CDK8 P49336 2/20 0.39

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
SCHEMBL7931544 0.86 CNR2 (0.50) GRM5ATRPLAU
SCHEMBL7930350 0.85 POLB (0.51) CSF1RBRAF
SCHEMBL7932092 0.85 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1MAPK10
SCHEMBL7932093 0.84 ROCK1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1MAPK10
SCHEMBL7921912 0.84
SCHEMBL7930354 0.84 SMN1; SMN2 (0.47) GRM5PLAUJAK2
SCHEMBL7930732 0.80 CNR2 (0.53) GRM5MAPK14JAK2
SCHEMBL7922479 0.79 JAK2 (0.46) GRM5BRAFJAK2CYP3A4
SCHEMBL7929316 0.79 GCK (0.62) GRM5
SCHEMBL7934025 0.78 NPC1 (0.49) MAPK10GRM5JAK2

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed