SCHEMBL5593259

SCHEMBL5593259

COc1nc2ncnn2c(NC2CC2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
EGLN2 Q96KS0 2/20 0.33
PDE2A O00408 6/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL5593258 0.96 ALOX15 (0.34) MAPK1ALOX15TSHREGLN2PDE2A
SCHEMBL5593468 0.95 CDK2 (0.34) MAPK1ALOX15TSHREGLN2PDE2A
SCHEMBL5593147 0.90 PDE2A (0.36) MAPK1EGLN2PDE2ASMN1; SMN2HPGD
SCHEMBL5593250 0.87 MAPK1 (0.40) MAPK1ALOX15TSHREGLN2SMN1; SMN2
SCHEMBL5593351 0.86 PDE2A (0.37) PDE2ASMN1; SMN2HPGD
SCHEMBL5593153 0.85 TSHR (0.36) MAPK1ALOX15TSHREGLN2PDE2A
SCHEMBL5593435 0.85 PDE2A (0.37) PDE2AHPGD
SCHEMBL5593138 0.83 MAPK1 (0.39) MAPK1ALOX15TSHRPDE2APOLB
SCHEMBL5593478 0.83 EGLN2 (0.41) MAPK1ALOX15TSHREGLN2PDE2A
SCHEMBL5593106 0.82 TSHR (0.38) MAPK1ALOX15TSHRPDE2APOLB

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-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed