SCHEMBL4470547

SCHEMBL4470547

Nc1nc(N)c(C(F)(F)F)c(-c2cc(C3CC3)n[nH]2)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
PDE8B O95263 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL4075051 0.76 MAPK13 (0.41)
SCHEMBL4889103 0.76 IGF1R (0.39)
SCHEMBL4473387 0.71 DHFR (0.35) HRH4PDE8BHRH3
SCHEMBL1771300 0.70 NPC1 (0.39)
SCHEMBL4469628 0.70 ADORA2A (0.41) PDE8BADORA2AADORA1
SCHEMBL16637163 0.65 ALOX15 (0.41)
SCHEMBL30782745 0.65 HRH4 (0.40) HRH4ADORA2AADORA1HRH3
SCHEMBL25338891 0.63 ALDH1A1 (0.42)
SCHEMBL4458641 0.63 HCAR2 (0.42)
SCHEMBL170833 0.62

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed