SCHEMBL21758288

SCHEMBL21758288

Nc1ncc(-n2nnc3ccccc32)nc1Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
GUCY1A1 Q02108 6/20 0.38
GUCY1B1 Q02153 6/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL21758295 0.89 RAB9A (0.42) RAB9APIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL21751294 0.72 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HTTL3MBTL1
SCHEMBL30800166 0.72 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HTTL3MBTL1
SCHEMBL14288842 0.69 RAB9A (0.43) RAB9APIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL23875970 0.68 L3MBTL1 (0.42) RAB9AGUCY1A1GUCY1B1NPC1ALDH1A1
SCHEMBL17827168 0.68 RAB9A (0.44) RAB9APIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12175465 0.65 RAB9A (0.61) RAB9ATSHRSMN1; SMN2ALDH1A1MGAM
SCHEMBL15445028 0.64 KCNMA1 (0.55) RAB9ATSHRSMN1; SMN2NPC1ALDH1A1
SCHEMBL5633298 0.64 RAB9A (0.51) RAB9ATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL9303187 0.63 KCNMA1 (0.67) TSHRSMN1; SMN2ALDH1A1HTTGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041579-A1 COELENTERAZINE ANALOGUES PROMEGA CORPORATION (US) 2020-02-27 WO disclosed