SCHEMBL1379732

SCHEMBL1379732

CCNC(=O)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(F)cc2)cc1.O=C(c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(F)cc2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
MGLL Q99685 3/20 0.46
NTRK1 P04629 1/20 0.44
FLT3 P36888 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4487783 0.92 HPGD (0.56) HPGDALDH1A1RAB9ANPC1MGLL
SCHEMBL1381949 0.87 KMT2A (0.61) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL1378425 0.82 KMT2A (0.58) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL4495287 0.82 HPGD (0.55) HPGDALDH1A1RAB9ANPC1MGLL
SCHEMBL1380499 0.81 NTRK1 (0.55) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL4513274 0.81 HPGD (0.64) HPGDALDH1A1RAB9ANPC1MGLL
SCHEMBL1378814 0.79 L3MBTL1 (0.58) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL1378210 0.79 HPGD (0.61) HPGDALDH1A1RAB9ANPC1MGLL
SCHEMBL1377927 0.78 MEN1 (0.55) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL1380975 0.78 HPGD (0.74) HPGDALDH1A1MEN1KMT2AMAPK1

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
JP-4769720-B2 2011-09-07 JP claimed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 WO claimed