SCHEMBL3949513

SCHEMBL3949513

[c]1nc(-c2cccc(Nc3ncc[nH]3)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 5/20 0.43
▸ ADRA2C P18825 5/20 0.43
▸ ADRA1D P25100 4/20 0.41
▸ ADRA1A P35348 4/20 0.41
▸ ADRA1B P35368 4/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TEK Q02763 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EGFR P00533 4/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL3947270 0.76 PLK1 (0.40) MAPTSMN1; SMN2ALDH1A1
SCHEMBL3943459 0.73 BRAF (0.33) MAPTSMN1; SMN2ALDH1A1
SCHEMBL17626272 0.70 HTT (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28212629 0.70 NQO2 (0.52) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL17626118 0.70 MAPT (0.35) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3607865 0.69 MAPT (0.48) NPC1MAPTRAB9ASMN1; SMN2VCP
SCHEMBL18342308 0.69 ADRA2A (0.54) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16180456 0.69 ADRA2A (0.57) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL770786 0.68 ADRA2A (0.56) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7228532 0.67 RAB9A (0.51) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 — — EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 — — WO claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 — — WO disclosed
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