SCHEMBL371168

SCHEMBL371168

Cn1cc(-n2ccc(=O)c(COc3ccc(C(=O)NC(F)C(F)F)cc3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
UBE2N P61088 3/20 0.34
ACACB O00763 3/20 0.34
MAPK1 P28482 3/20 0.33
DGAT1 O75907 2/20 0.33
RIPK2 O43353 1/20 0.33
PRMT5 O14744 2/20 0.33
ALKBH1 Q13686 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL360971 0.87 TBXAS1 (0.41) RAB9AAXLMERTKUBE2NRIPK2
SCHEMBL12503516 0.84 DGAT1 (0.39) RAB9AUBE2NMAPK1DGAT1PRMT5
SCHEMBL360085 0.83 PARP10 (0.43)
SCHEMBL360220 0.81 TBXAS1 (0.41) RAB9AMAPK1L3MBTL1HRH3
SCHEMBL14930551 0.80 ALDH1A1 (0.38) RAB9AL3MBTL1HRH3
SCHEMBL12503425 0.79 MEN1 (0.40) RAB9AMAPTL3MBTL1
SCHEMBL359456 0.79 FGFR1 (0.36) RAB9AAXLMERTKPRMT5MAPT
SCHEMBL10283805 0.77 NPC1 (0.32) RAB9APRMT5L3MBTL1
SCHEMBL14926941 0.76 MAPT (0.42) RAB9AAXLMAPK1MAPT
SCHEMBL359734 0.76 IRAK1 (0.38) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed