SCHEMBL1375252

SCHEMBL1375252

CCc1ccc(Oc2cnc(N)nc2NCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DHFR P00374 2/20 0.37
GHSR Q92847 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
KDR P35968 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
SCHEMBL5205294 0.88 MMP13 (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5206828 0.85 MAPT (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5205013 0.85 KCNH2 (0.40) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6480339 0.79 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1376217 0.78 NUDT1 (0.43) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL23472667 0.77 TNF (0.49) USP2TSHRTNFL3MBTL1
SCHEMBL5202871 0.77 STK17A (0.42) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1376097 0.76 STK17A (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5204559 0.76 STK17A (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1376082 0.76 STK17A (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1

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
JP-4743463-B2 2011-08-10 JP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed