SCHEMBL3418540

SCHEMBL3418540

COc1nc(N[C@H]2CC[C@H](C)CC2)ncc1-c1ccc(N(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
MAPK8 P45983 2/20 0.40
SYK P43405 3/20 0.39
JUN P05412 1/20 0.39
MAPK10 P53779 1/20 0.39
CDK1 P06493 7/20 0.38
CDK4 P11802 6/20 0.38
CCND1 P24385 6/20 0.38
CDK2 P24941 6/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL3418538 1.00 GRM5 (0.43) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1334044 0.88 GRM5 (0.40) GRM5SYKJUNMAPK10PSEN1
SCHEMBL1334045 0.88 GRM5 (0.40) GRM5SYKJUNMAPK10PSEN1
SCHEMBL1034756 0.85 GRM5 (0.39) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1033033 0.85 GRM5 (0.39) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1033032 0.85 GRM5 (0.39) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1034758 0.85 GRM5 (0.39) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1334229 0.83 MAPK8 (0.41) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1334231 0.83 MAPK8 (0.41) GRM5MAPK8SYKJUNMAPK10
SCHEMBL1032779 0.83 GRM5 (0.37) GRM5SYKPSEN1PSEN2APH1B

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-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO disclosed