SCHEMBL19986926

SCHEMBL19986926

COc1c(C(=O)Nc2cc(C=O)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSK P41240 5/20 0.41
▸ MAP3K20 Q9NYL2 4/20 0.41
▸ DDR1 Q08345 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ MAPK14 Q16539 8/20 0.37
▸ MAP3K7 O43318 3/20 0.37
▸ MAP4K2 Q12851 3/20 0.37
▸ EPHA2 P29317 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ EPHB2 P29323 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ BMX P51813 3/20 0.37
▸ BTK Q06187 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL12518523 0.75 LCK (0.64) CSKMAP3K20DDR1MAPK14RAF1
SCHEMBL17980480 0.73 AHR (0.48) DYRK1AMET
SCHEMBL14027871 0.70 JAK1 (0.42) BRAF
SCHEMBL4789344 0.70 AXL (0.48) RAF1METBRAF
SCHEMBL4789712 0.68 BMX (0.49) BMX
SCHEMBL16588527 0.68 PRKCI (0.59) CSKMAP3K20MAPK14
SCHEMBL19724259 0.67 HDAC1 (0.50) MAPK14KDM4E
SCHEMBL4789715 0.67 BMX (0.58) CSKMAP3K20DYRK1AMAPK14MAP4K2
SCHEMBL14026833 0.67 BRAF (0.42) RAF1KDM4EMETBRAF
SCHEMBL2286190 0.66 CSK (0.60) CSKMAP3K20DDR1MAPK14MAP3K7

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-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 — — EP disclosed
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