SCHEMBL4784010

SCHEMBL4784010

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
RAF1 P04049 12/20 0.47
MAPT P10636 2/20 0.47
MAPK14 Q16539 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRAF P15056 11/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4727293 0.88 RAF1 (0.55) RAF1MAPK14BRAF
SCHEMBL4780389 0.87 RAF1 (0.53) KMT2ARAF1MAPTMAPK14BRAF
SCHEMBL4781713 0.87 MAPK14 (0.53) RAF1MAPK14BRAFTSHR
SCHEMBL4727303 0.85 MAPK14 (0.52) RAF1MAPTMAPK14BRAF
SCHEMBL4728270 0.85 MAPK14 (0.51) RAF1MAPK14BRAF
SCHEMBL4783505 0.85 MAPK14 (0.49) LMNARAF1MAPK14NPC1RAB9A
SCHEMBL4784013 0.84 NPC1 (0.49) RAF1MAPTMAPK14NPC1RAB9A
SCHEMBL4728328 0.83 RAF1 (0.54) RAF1MAPK14BRAF
SCHEMBL4781325 0.82 RAF1 (0.55) RAF1MAPTBRAF
SCHEMBL4727827 0.82 MAPK14 (0.56) RAF1MAPK14BRAF

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