SCHEMBL2922754

SCHEMBL2922754

[CH2]CNc1ncc(C)c(-c2cc3cccc(-c4ccncc4)c3s2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
PDE10A Q9Y233 3/20 0.36
NPR1 P16066 5/20 0.33
LIMK1 P53667 1/20 0.33
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
MAPK14 Q16539 1/20 0.32
PRKCI P41743 3/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL2925835 0.81 PDE10A (0.37) PDE10ACDK2GSK3BMAPK14CDC7
SCHEMBL391330 0.80 IRAK1 (0.41) ADORA1ADORA2ACDK2GSK3B
SCHEMBL28784139 0.76 ADORA1 (0.30) ADORA1ADORA2AMAPK14
SCHEMBL29809458 0.73 PDE10A (0.48) PDE10ACDK2GSK3BMAPK14PRKCI
SCHEMBL595945 0.71 MKNK1 (0.35) ADORA1ADORA2APDE10APRKCI
SCHEMBL392643 0.69 BRAF (0.41) ADORA1ADORA2A
SCHEMBL388901 0.69 IRAK1 (0.38) ADORA1ADORA2ACDK2
SCHEMBL2923179 0.68 TDO2 (0.39) ADORA1ADORA2APDE10ACDK2GSK3B
SCHEMBL387938 0.66 SCN9A (0.38) ADORA1ADORA2ACDK2
SCHEMBL2923633 0.64 IRAK1 (0.40) ADORA1ADORA2ACDK2

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
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP claimed