SCHEMBL20008497

SCHEMBL20008497

C=C(/C=C(\C=C(/C)CCCO)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1C)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.45
CYP2C9 P11712 2/20 0.45
RAF1 P04049 15/20 0.44
MAPK14 Q16539 3/20 0.43
LCK P06239 2/20 0.43
JAK2 O60674 1/20 0.43
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
EPHB4 P54760 1/20 0.43
PTK2 Q05397 1/20 0.43
BTK Q06187 2/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL20009576 0.72 RAF1 (0.40) BRAFRAF1
SCHEMBL19068928 0.69 RAF1 (0.57) BRAFRAF1
SCHEMBL21091770 0.68 RAF1 (0.56) BRAFRAF1
SCHEMBL21877180 0.67 KCNQ3 (0.63) BRAFCYP2C9RAF1MAPK14LCK
SCHEMBL24275085 0.66 KCNQ3 (0.65) BRAFCYP2C9RAF1MAPK14LCK
SCHEMBL4434874 0.66 KCNQ3 (0.65) BRAFRAF1MAPK14LCKCSF1R
SCHEMBL16036513 0.66 KCNQ3 (0.65) BRAFCYP2C9RAF1MAPK14LCK
SCHEMBL20008530 0.66 RAF1 (0.38) BRAFRAF1
SCHEMBL26075509 0.66 KCNQ3 (0.63) BRAFCYP2C9RAF1MAPK14LCK
SCHEMBL23654790 0.65 RAF1 (0.50) BRAFRAF1

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed