SCHEMBL21021065

SCHEMBL21021065

C=C(Nc1ccc(C)c(-c2ccc(C)cc2)c1)C1C(c2cccc(C(C)(C)F)c2)C1(C)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.37
BRAF P15056 6/20 0.35
DDR2 Q16832 2/20 0.35
MAPK14 Q16539 8/20 0.34
KDR P35968 6/20 0.34
LCK P06239 4/20 0.34
JAK3 P52333 4/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ABL1 P00519 1/20 0.33
TEK Q02763 2/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
LYN P07948 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
EPHB4 P54760 1/20 0.33
EPHA4 P54764 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
SCHEMBL21021463 0.75
SCHEMBL21020536 0.74 MAPK14 (0.40) MAPK14SLC1A3SLC1A2SLC1A1ABL1
SCHEMBL21021819 0.74 MEN1 (0.39) SLC1A3SLC1A2SLC1A1GAAMAPT
SCHEMBL21020810 0.73 LMNA (0.36) ABL1MAPT
SCHEMBL21021036 0.73 USP28 (0.31) MAPK14MAPT
SCHEMBL21020662 0.71 MEN1 (0.31) GAAMAPT
SCHEMBL20076606 0.71 MEN1 (0.36) GAAMAPT
SCHEMBL21021225 0.70 HTT (0.38) BRAFMAPK14KDRSLC1A3SLC1A2
SCHEMBL21021202 0.70 KMT2A (0.39) RAF1BRAFMAPK14SLC1A3SLC1A2
SCHEMBL21021200 0.70 CNR1 (0.38) RAF1MAPT

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed