SCHEMBL4611264

SCHEMBL4611264

C#Cc1cccc(-c2cnc(N)nc2N)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.61
ADORA1 P30542 6/20 0.43
ADORA2A P29274 4/20 0.43
FGFR1 P11362 3/20 0.43
SRC P12931 1/20 0.43
MAP3K14 Q99558 1/20 0.40

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
SCHEMBL1388358 0.79 DHFR (0.71) DHFRADORA1ADORA2AFGFR1
SCHEMBL30401146 0.79 DHFR (0.71) DHFRADORA1ADORA2AFGFR1
SCHEMBL27631899 0.78 DHFR (0.69) DHFRADORA1ADORA2A
SCHEMBL1388331 0.76 DHFR (0.67) DHFRADORA1ADORA2A
SCHEMBL30488016 0.76 ADORA1 (0.70) DHFRADORA1ADORA2AFGFR1
SCHEMBL1116404 0.76 ADORA1 (0.70) DHFRADORA1ADORA2AFGFR1SRC
SCHEMBL29913330 0.76 DHFR (1.00) DHFRADORA1ADORA2AFGFR1SRC
SCHEMBL1388562 0.76 DHFR (1.00) DHFRADORA1ADORA2AFGFR1SRC
SCHEMBL1388335 0.76 DHFR (0.67) DHFRADORA1ADORA2AFGFR1
SCHEMBL1388276 0.76 ADORA1 (0.70) DHFRADORA1ADORA2AFGFR1

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-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed