SCHEMBL13765145

SCHEMBL13765145

CCOP(=O)(O)Nc1nc(OCc2cccc(N)c2)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.37
SYK P43405 8/20 0.35
CCNT1 O60563 5/20 0.34
CDK9 P50750 5/20 0.34
MAOB P27338 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
AURKB Q96GD4 1/20 0.33
ABL1 P00519 1/20 0.33
FFAR1 O14842 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL13765017 0.90 MAOB (0.42) MAOBFFAR1
SCHEMBL13765098 0.88 CYP1A2 (0.41)
SCHEMBL13765102 0.83 ALDH1A1 (0.39) BTKMAOB
SCHEMBL13530322 0.83 MAOB (0.40) MAOBFFAR1
SCHEMBL13529480 0.80 NPSR1 (0.43)
SCHEMBL14734485 0.79 SYK (0.39) SYKMAOBRXRAGRIN1GRIN2B
SCHEMBL13530349 0.78 FFAR1 (0.41) SYKMAOBFFAR1
SCHEMBL13764996 0.77 PARP14 (0.39)
SCHEMBL14734484 0.77 ROCK2 (0.41) BTKSYKAURKBFFAR1THRA
SCHEMBL3189376 0.76 ALDH1A1 (0.39) BTKMAOB

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-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO disclosed