SCHEMBL5593288

SCHEMBL5593288

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.39
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MBOAT4 Q96T53 2/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5593390 0.95 PDE2A (0.39) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593324 0.90 PDE2A (0.42) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593364 0.89 LMNA (0.42) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593501 0.89 PDE2A (0.40) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593410 0.89 SMN1; SMN2 (0.39) PDE2ATSHRLMNAALDH1A1MBOAT4
SCHEMBL5593427 0.87 ALDH1A1 (0.41) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593335 0.86 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593357 0.86 KDM1A (0.41) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593378 0.85 PDE2A (0.42) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593485 0.85 PDE2A (0.37) PDE2AALDH1A1MBOAT4CYP1A2KDM4E

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