SCHEMBL6175751

SCHEMBL6175751

CC(c1ccnc2ccccc12)C1(C(C)c2ccnc3ccccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IGF1R P08069 2/20 0.37
CYP3A4 P08684 2/20 0.35
RAF1 P04049 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
MAP3K20 Q9NYL2 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
CXCR3 P49682 2/20 0.35
GPR139 Q6DWJ6 2/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRL1 P41146 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 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
SCHEMBL6174465 0.88 MAPK7 (0.39) ARPOLBL3MBTL1CYP3A4KMT2A
SCHEMBL3729343 0.88 MAPK7 (0.42) ARPOLBL3MBTL1CYP3A4RET
SCHEMBL6175201 0.88 MAPK7 (0.39) ARPOLBL3MBTL1CYP3A4KMT2A
SCHEMBL6177961 0.88 MAPK7 (0.39) ARPOLBL3MBTL1CYP3A4GPR139
SCHEMBL6176261 0.87 DDR1 (0.38) ARPOLBL3MBTL1CYP3A4TRPV1
SCHEMBL6174121 0.87 TRPV1 (0.40) ARPOLBL3MBTL1CYP3A4GPR139
SCHEMBL6174964 0.87 TRPV1 (0.35) ARPOLBL3MBTL1CYP3A4KMT2A
SCHEMBL6172700 0.87 TRPV1 (0.46) ARPOLBL3MBTL1CYP3A4KMT2A
SCHEMBL6172636 0.86 KDM4E (0.35) ARPOLBL3MBTL1CYP3A4RAF1
SCHEMBL6174388 0.86 MAPK7 (0.39) ARPOLBL3MBTL1CYP3A4GPR139

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
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed