SCHEMBL8185025

SCHEMBL8185025

C#CCNC(=O)c1c(N)nc(C#Cc2cccc(C)c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
FFAR1 O14842 3/20 0.37
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.35
GRM5 P41594 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL8175574 0.85 EGLN1 (0.38) EGLN1FNTAFNTBFFAR1LMNA
SCHEMBL8186674 0.83 PYGL (0.38) FNTAFNTBALOX15LMNARIPK1
SCHEMBL8186684 0.82 ACACB (0.38) LMNA
SCHEMBL8187914 0.82 EGLN1 (0.36) EGLN1FNTAFNTBFFAR1LMNA
SCHEMBL8186495 0.80 MAOB (0.36) LMNA
SCHEMBL8175327 0.80 GRM4 (0.34) LMNA
SCHEMBL8185960 0.80 RAB9A (0.40)
SCHEMBL8184265 0.74 EGLN1 (0.41) EGLN1FFAR1GRM5CA12CA1
SCHEMBL8184417 0.74 EGLN1 (0.41) EGLN1FFAR1GRM5CA12CA1
SCHEMBL6502589 0.72 FFAR1 (0.41) FFAR1GRM5

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-2008077557-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS SCHWARZ PHARMA AG (DE) 2008-07-03 WO disclosed