SCHEMBL22490018

SCHEMBL22490018

CC(C)c1ncnc2[nH]c(C(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CIT O14578 1/20 0.38
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ EGFR P00533 4/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RET P07949 2/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ RPS6KB1 P23443 2/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CHKA P35790 1/20 0.30
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL22304232 0.78 EGFR (0.36) EGFRJAK3
SCHEMBL17538627 0.78 CSNK1D (0.38) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL30248822 0.76 RET (0.40) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL22524176 0.76 RET (0.40) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL22502463 0.75 IKBKB (0.38) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL29375488 0.75 IKBKB (0.38) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL17394757 0.75 AURKA (0.36) CITIKBKBCHUKEGFRCSNK1D
SCHEMBL22490022 0.73 KDM4E (0.44) CITIKBKBCHUKCSNK1DMAPK14
SCHEMBL24453350 0.71 EGFR (0.66) EGFRCSF1R
SCHEMBL22524279 0.71 EGFR (0.66) EGFRCSF1R

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-2020198469-A1 METHOD FOR TREATING EPIDERMAL GROWTH FACTOR RECEPTOR-DRIVEN CANCERS WITH PROTEIN KINASE C INHIBITORS IN COMBINATION WITH AN EGFR-TYROSINE KINASE INHIBITOR IDEAYA BIOSCIENCES INC. (US) 2020-10-01 — — WO disclosed
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