SCHEMBL5593364

SCHEMBL5593364

COc1cc(F)c(-c2c(C)nc3ncnn3c2N2CCC(C)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
PDE2A O00408 5/20 0.41
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 3/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 1/20 0.37
PAX2 Q02962 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5593398 0.95 PDE2A (0.42) LMNAALDH1A1PDE2ANPSR1KDM4E
SCHEMBL5593501 0.90 PDE2A (0.40) LMNAALDH1A1PDE2ANPSR1KDM4E
SCHEMBL5593098 0.90 PDE2A (0.44) LMNAALDH1A1PDE2AKDM4ESMN1; SMN2
SCHEMBL5593288 0.89 PDE2A (0.39) LMNAALDH1A1PDE2ANPSR1KDM4E
SCHEMBL5593273 0.89 SMN1; SMN2 (0.42) LMNAALDH1A1PDE2ANPSR1KDM4E
SCHEMBL5593344 0.88 LMNA (0.44) LMNAALDH1A1PDE2ANPSR1TSHR
SCHEMBL5593357 0.87 KDM1A (0.41) LMNAALDH1A1PDE2ANPSR1KDM4E
SCHEMBL5593163 0.85 PDE2A (0.40) LMNAALDH1A1PDE2ANPSR1CYP1A2
SCHEMBL5593409 0.85 PDE2A (0.42) PDE2ACYP1A2
SCHEMBL5593390 0.85 PDE2A (0.39) LMNAALDH1A1PDE2ANPSR1CYP1A2

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