SCHEMBL4780774

SCHEMBL4780774

CCN(CC)Cc1cn(-c2cc(C(C)(C)C)cc(C(=O)Nc3cnc(C)c(-c4ccc(C(=O)NCC(C)(C)C)cc4)c3)c2OC)nn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
RAF1 P04049 15/20 0.34
BRAF P15056 14/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
ABCB1 P08183 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
SCHEMBL4784063 0.92 RAF1 (0.36) RAF1BRAFABCB1
SCHEMBL4844549 0.88 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4781741 0.88 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4780489 0.87 ABL1 (0.40) RAF1BRAFABCB1
SCHEMBL4781974 0.83 PSEN1 (0.39) TRPV1RAF1BRAF
SCHEMBL4780311 0.82 KDM4E (0.38) TRPV1RAF1BRAFKMT2A
SCHEMBL4780832 0.81 LMNA (0.42) RAF1BRAF
SCHEMBL4726702 0.79 PTPN1 (0.38) TRPV1RAF1BRAFKMT2A
SCHEMBL14293721 0.78 POLQ (0.34) TRPV1RAF1BRAF
SCHEMBL4728030 0.78 MAPK14 (0.42) TRPV1RAF1BRAF

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