SCHEMBL4905087

SCHEMBL4905087

COc1c(C#N)cc(C(C)(C)C)cc1Nc1cnc(C)c(-n2cc(C(=O)NCC3CCCO3)nn2)c1.Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)N2CCOCC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
FASN P49327 3/20 0.35
BRAF P15056 11/20 0.34
RAF1 P04049 9/20 0.34
MAPK14 Q16539 1/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4782957 0.87 BRAF (0.42) FASNBRAFHPGDKMT2A
SCHEMBL4783689 0.80 ACKR3 (0.39) DHODHFASNBRAFRAF1HPGD
SCHEMBL4781558 0.80 GLS (0.41) FASNBRAFHPGDKMT2ASMN1; SMN2
SCHEMBL4782195 0.76 GPR119 (0.42) FASNBRAFRAF1
SCHEMBL4781871 0.75 MAPK14 (0.37) BRAFMAPK14
SCHEMBL4783684 0.75 ACKR3 (0.40) FASNBRAFHPGDKMT2ASMN1; SMN2
SCHEMBL4783254 0.75 MAPK14 (0.35) MAPK14
SCHEMBL4781600 0.75 TEK (0.38) BRAFRAF1
SCHEMBL4780823 0.74 ACKR3 (0.39) DHODHBRAFHPGDKMT2ASMN1; SMN2
SCHEMBL4799754 0.74 MAPK14 (0.37) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed