SCHEMBL15925145

SCHEMBL15925145

N#Cc1ccnc(NC(=O)CCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ EGFR P00533 2/20 0.47
▸ ERBB3 P21860 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SHMT2 P34897 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL21766656 0.85 NAMPT (0.47) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15910526 0.85 HTT (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL19151107 0.82 TYK2 (0.50) GSK3BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31703164 0.82 ALDH1A1 (0.43) EGFRALDH1A1SMN1; SMN2HCRTR1HCRTR2
SCHEMBL15205400 0.81 GRM5 (0.44) NPC1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL14791559 0.79 TSHR (0.62) TSHREGFRERBB3BCHEGSK3B
SCHEMBL15940624 0.79 ALDH1A1 (0.44) TSHREGFRERBB3ALDH1A1NPC1
SCHEMBL8434070 0.79 RAB9A (0.67) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15940629 0.79 BCHE (0.53) TSHREGFRERBB3BCHEALDH1A1
SCHEMBL19116805 0.78 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2HCRTR1HCRTR2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
EP-2762468-A1 2-aminopyridine derivatives as plant growth regulating compounds Syngenta Participations AG. (CH) 2014-08-06 — — EP disclosed
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