SCHEMBL16588527

SCHEMBL16588527

COc1c(C)cnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.59
▸ AXL P30530 2/20 0.59
▸ BRD4 O60885 3/20 0.47
▸ CCNK O75909 3/20 0.42
▸ CDK12 Q9NYV4 3/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ TTBK1 Q5TCY1 2/20 0.41
▸ TTBK2 Q6IQ55 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ CSK P41240 1/20 0.37
▸ MAP3K20 Q9NYL2 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ TPX2 Q9ULW0 1/20 0.37

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
SCHEMBL12563103 0.82 PRKCI (0.54) PRKCIAXLBRD4CCNKCDK12
SCHEMBL27869032 0.81 BRD4 (0.46) PRKCIAXLBRD4MKNK1MKNK2
SCHEMBL1566092 0.81 PRKCI (0.49) PRKCIAXLBRD4CCNKCDK12
SCHEMBL8324165 0.77 PRKCI (0.67) PRKCIAXLCCNKCDK12RPS6KA3
SCHEMBL21677833 0.77 BRD4 (0.43) PRKCIAXLBRD4TTBK1TTBK2
SCHEMBL16588526 0.76 BRD4 (0.42) PRKCIAXLBRD4CCNKCDK12
SCHEMBL18680897 0.75 AXL (0.50) PRKCIAXLBRD4MKNK1MKNK2
SCHEMBL17963822 0.74 JAK2 (0.54) PRKCIAXLBRD4TTBK1TTBK2
SCHEMBL23089249 0.74 PRKCI (0.62) PRKCIAXLCCNKCDK12MAPK1
SCHEMBL15155103 0.74 PRKCI (0.62) PRKCIAXLCCNKCDK12MKNK1

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-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 — — EP disclosed
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