SCHEMBL3852435

SCHEMBL3852435

CC(=O)On1cc(-c2ccc(Br)cc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
DGAT1 O75907 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
USP30 Q70CQ3 3/20 0.33
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
ALOX5 P09917 2/20 0.33

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
SCHEMBL18183699 0.75 AXL (0.50) ALOX5APFEN1BRD4CREBBPUSP30
SCHEMBL3848418 0.73 PDK2 (0.47) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL29420340 0.72 FFAR1 (0.44) ALOX5APFEN1USP30FFAR1SCN9A
SCHEMBL1953780 0.71 MMP1 (0.43) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL5549813 0.67 MMP1 (0.49) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL21612900 0.64 RAB9A (0.39) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL21838886 0.64 EGFR (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL21612951 0.64 RAB9A (0.42) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28541552 0.64 NOS1 (0.37) ALDH1A1L3MBTL1PLAUELANE
SCHEMBL12985710 0.64 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AKMT2A

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
CN-101641093-B Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP 2013-05-29 CN disclosed
CN-101641093-A Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP US 2010-02-03 CN disclosed
EP-2099447-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-09-16 EP disclosed
WO-2008064157-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-05-29 WO disclosed