SCHEMBL5180451

SCHEMBL5180451

C[Si]1(C)CCN(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GLA P06280 1/20 0.32
PAX2 Q02962 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 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
SCHEMBL5181833 0.96 PDE2A (0.34) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL5181332 0.94 ALDH1A1 (0.35) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL5183012 0.87 LMNA (0.34) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL974960 0.86 LMNA (0.36) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL4819802 0.86 LMNA (0.36) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL5179684 0.84 PDE2A (0.38) PDE2AALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL5180905 0.84 PAX2 (0.37) PDE2AALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL974937 0.84 KDM1A (0.39) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL81282 0.82 TSHR (0.41) PDE2AALDH1A1TSHRKMT2APOLB
SCHEMBL14416878 0.82 PDE2A (0.37) PDE2AALDH1A1TSHRKMT2APOLB

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
EP-1828211-A1 NOVEL TRIAZOLOPYRIMIDINE DERIVATIVES Syngeta Participations AG (CH) 2007-09-05 EP disclosed
WO-2006066872-A1 NOVEL TRIAZOLOPYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-29 WO disclosed