SCHEMBL3766220

SCHEMBL3766220

NC(=O)c1cc(COc2ccc(N(C(N)=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.48
CYP4F2 P78329 4/20 0.47
CYP4A11 Q02928 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
MAOB P27338 1/20 0.39
GRM4 Q14833 1/20 0.39
CYP3A4 P08684 1/20 0.38
S1PR1 P21453 1/20 0.38
MMP12 P39900 1/20 0.38
IDO1 P14902 1/20 0.38
KDR P35968 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL6012882 0.85 RAF1 (0.66) RAF1KDRBRAF
SCHEMBL672388 0.81 RAF1 (0.74) RAF1KDRBRAF
SCHEMBL27576013 0.80 RAF1 (0.59) RAF1GRM4KDRBRAF
SCHEMBL16621032 0.78 RAF1 (0.52) RAF1CYP4F2CYP4A11
SCHEMBL4246399 0.76 HTR3E (0.49) GRM4S1PR1IDO1KDR
SCHEMBL694648 0.76 RAF1 (0.67) RAF1KDRBRAF
SCHEMBL13727752 0.76 RAF1 (0.54) RAF1GRM4KDRBRAF
SCHEMBL16143280 0.75 RAF1 (0.68) RAF1KDRBRAF
SCHEMBL27734542 0.75 HTR3E (0.43) GRM4S1PR1IDO1KDR
SCHEMBL3766222 0.75 RAF1 (0.44) RAF1KDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9545410-B2 Tyrosine kinase inhibitors as anti-kinetoplastid agents UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-01-17 US disclosed
US-20130072484-A1 TYROSINE KINASE INHIBITORS AS ANTI-KINETOPLASTID AND ANTI-APICOMPLEXAN AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-03-21 US disclosed
US-8338433-B2 Tyrosine kinase inhibitors as anti-kinetoplastid agents UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100311742-A1 TYROSINE KINASE INHIBITORS AS ANTI-KINETOLASTID AND ANTI-APICOMPLEXAN AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-12-09 US disclosed
EP-2088863-A2 TYROSINE KINASE INHIBITORS AS ANTI-KINETOLASTID AND ANTI-APICOMPLEXAN AGENTS University Of Georgia Research Foundation, Inc. (US) 2009-08-19 EP disclosed
WO-2008066755-A2 TYROSINE KINASE INHIBITORS AS ANTI-KINETOLASTID AND ANTI-APICOMPLEXAN AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-06-05 WO disclosed