SCHEMBL5593341

SCHEMBL5593341

COc1cc(F)c(-c2c(C#N)nc3ncnn3c2N2CCCCC2C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.41
S1PR1 P21453 3/20 0.37
PDE2A O00408 8/20 0.36
KDM1A O60341 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL5593131 0.97 EGLN2 (0.44) EGLN2S1PR1PDE2AKDM1AMAP4K1
SCHEMBL5593080 0.89 EGLN2 (0.43) EGLN2PDE2ACYP1A2CYP3A4MAPT
SCHEMBL5593221 0.88 PDE2A (0.39) EGLN2S1PR1PDE2ACYP1A2KDM4E
SCHEMBL5593454 0.88 PDE2A (0.38) EGLN2S1PR1PDE2ACYP1A2KDM4E
SCHEMBL5593485 0.87 PDE2A (0.37) EGLN2S1PR1PDE2ACYP1A2KDM4E
SCHEMBL5593191 0.86 ALDH1A1 (0.37) EGLN2PDE2AKDM1ACYP1A2MAPT
SCHEMBL5593357 0.86 KDM1A (0.41) EGLN2PDE2AKDM1ACYP1A2MAPT
SCHEMBL5593247 0.86 EGLN2 (0.46) EGLN2PDE2A
SCHEMBL5593245 0.85 PDE2A (0.40) EGLN2PDE2ACYP1A2
SCHEMBL5593409 0.85 PDE2A (0.42) EGLN2PDE2ACYP1A2

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