SCHEMBL4727147

SCHEMBL4727147

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGLN1 Q9GZT9 3/20 0.44
RAF1 P04049 6/20 0.42
BRAF P15056 6/20 0.42
KIT P10721 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ABL1 P00519 1/20 0.41
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
TEK Q02763 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL4726220 0.92 RAF1 (0.41) MAPK14RAF1BRAFTRPV1TEK
SCHEMBL4729206 0.92 RAF1 (0.47) MAPK14EGLN1RAF1BRAF
SCHEMBL4727842 0.86 RAF1 (0.45) RAF1BRAFTEK
SCHEMBL4725881 0.85 RAF1 (0.42) RAF1BRAFTEK
SCHEMBL4725070 0.85 TEK (0.46) RAF1BRAFTRPV1TEK
SCHEMBL4726247 0.84 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4728099 0.83 RAF1 (0.41) MAPK14EGLN1RAF1BRAF
SCHEMBL4726798 0.83 RAF1 (0.42) RAF1BRAFTRPV1TEK
SCHEMBL4727320 0.83 CNR2 (0.42) MAPK14NPC1RAB9ARAF1BRAF
SCHEMBL4725920 0.82 EGLN1 (0.48) MAPK14EGLN1MEN1KMT2A

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