SCHEMBL7876259

SCHEMBL7876259

Bc1c(CNC2(COC)CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.36
KMT2A Q03164 6/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 5/20 0.33
NPC1 O15118 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP3 P42574 1/20 0.31
BLM P54132 1/20 0.31
NCOA1 Q15788 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL10239137 0.92 CHEK1 (0.37) OPRL1KMT2ARAB9AMEN1NPC1
SCHEMBL7883203 0.86 CHEK1 (0.39) KMT2ARAB9AMEN1NPC1RXFP1
SCHEMBL10235003 0.84 CHEK1 (0.37) OPRL1PIK3R1PIK3CA
SCHEMBL10239214 0.81 CHEK1 (0.36) OPRL1KMT2ARAB9AMEN1NPC1
SCHEMBL10239138 0.81 OPRL1 (0.31) OPRL1
SCHEMBL7874844 0.80 CHEK1 (0.40) KMT2ARAB9AMEN1NPC1RXFP1
SCHEMBL7885854 0.80 MEN1 (0.34) OPRL1KMT2ARAB9AMEN1NPC1
SCHEMBL7884549 0.78 MAP4K4 (0.38) KMT2ARAB9AMEN1NPC1
SCHEMBL10235080 0.78 CHEK1 (0.39) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL7882746 0.77 KMT2A (0.40) KMT2ARAB9AMEN1NPC1RXFP1

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed