SCHEMBL2915255

SCHEMBL2915255

COc1c(C(=O)Nc2ccc(N)nc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.37
KIT P10721 8/20 0.36
CFTR P13569 2/20 0.36
MAPK14 Q16539 4/20 0.36
KDR P35968 1/20 0.36
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CDK8 P49336 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
PTPN11 Q06124 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2909795 0.89 NR1H4 (0.39) CFTRNR1H4KDM4EMAPTPOLB
SCHEMBL2913875 0.87 F10 (0.37) NR1H4KDM4EMAPTNPC1POLB
SCHEMBL2913384 0.86 NR1H4 (0.40) CFTRNR1H4KDM4EMAPTNPC1
SCHEMBL2915054 0.86 NR1H4 (0.40) CFTRNR1H4KDM4EMAPTNPC1
SCHEMBL2913600 0.86 NR1H4 (0.40) NR1H4KDM4EMAPTPOLBF10
SCHEMBL2917122 0.84 MAPT (0.42) NR1H4MAPTNPC1RAB9AF10
SCHEMBL2907136 0.83 NR1H4 (0.38) CFTRNR1H4KDM4EMAPTNPC1
SCHEMBL2916146 0.83 ALDH1A1 (0.38) NR1H4MAPTNPC1RAB9AF10
SCHEMBL2915689 0.83 F10 (0.39) MAPTNPC1RAB9AF10SMN1; SMN2
SCHEMBL2907824 0.83 MAPT (0.39) NR1H4KDM4EMAPTNPC1RAB9A

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed