SCHEMBL4727399

SCHEMBL4727399

C#CCNCc1cc(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.40
BRAF P15056 14/20 0.40
TRPV1 Q8NER1 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHA3 P29320 1/20 0.36
FRK P42685 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4729516 0.89 RAF1 (0.39) RAF1BRAFTRPV1NAMPTMEN1
SCHEMBL4729502 0.87 NPC1 (0.40) RAF1BRAFTRPV1NAMPTMEN1
SCHEMBL4797503 0.87 RAF1 (0.38) RAF1BRAFTRPV1NAMPTMEN1
SCHEMBL4727387 0.87 RAF1 (0.39) RAF1BRAFTRPV1NAMPTMEN1
SCHEMBL4780212 0.86 RAF1 (0.37) RAF1BRAFTRPV1NAMPTMEN1
SCHEMBL4729210 0.84 TRPV1 (0.42) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4729212 0.83 TRPV1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4729484 0.83 TRPV1 (0.41) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4726798 0.82 RAF1 (0.42) RAF1BRAFTRPV1HDAC3HDAC6
SCHEMBL4726861 0.82 TEK (0.47) RAF1BRAFTRPV1MEN1KMT2A

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