SCHEMBL5593402

SCHEMBL5593402

COc1cc(F)c(-c2c(C#N)nc3ncnn3c2NC2CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 7/20 0.39
CSNK2A1 P68400 1/20 0.35
PDE2A O00408 2/20 0.35
KDM1A O60341 2/20 0.34
MAPT P10636 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 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
SCHEMBL5593450 0.96 MAPT (0.39) EGLN2PDE2AKDM1AMAPT
SCHEMBL5593414 0.95 MAPT (0.38) EGLN2PDE2AMAPTHPGD
SCHEMBL5593478 0.87 EGLN2 (0.41) EGLN2PDE2A
SCHEMBL5593147 0.86 PDE2A (0.36) EGLN2PDE2AIRAK4CYP1A2HPGD
SCHEMBL5593060 0.86 CYP1A2 (0.39) PDE2AIRAK4CYP1A2HPGD
SCHEMBL5593148 0.85 PDE2A (0.36) EGLN2PDE2AIRAK4CYP1A2HPGD
SCHEMBL5593197 0.84 EGLN2 (0.40) EGLN2PDE2AHPGD
SCHEMBL5593059 0.83 EGLN2 (0.35) EGLN2CYP1A2HPGD
SCHEMBL5593433 0.83 EGLN2 (0.39) EGLN2PDE2AHPGD
SCHEMBL5593351 0.83 PDE2A (0.37) PDE2AIRAK4CYP1A2HPGD

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
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
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 disclosed