SCHEMBL27313419

SCHEMBL27313419

COc1nc(Nc2ccc(C3CCN(C)CC3)c(C)c2)ncc1C(=O)Nc1c(C)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 12/20 0.53
▸ WEE1 P30291 1/20 0.52
▸ SIK1 P57059 2/20 0.50
▸ SIK2 Q9H0K1 2/20 0.50
▸ SIK3 Q9Y2K2 2/20 0.50
▸ HCK P08631 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ LCK P06239 3/20 0.46
▸ JAK3 P52333 2/20 0.45
▸ TNK2 Q07912 2/20 0.45
▸ KDR P35968 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MET P08581 1/20 0.44
▸ BTK Q06187 1/20 0.44

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
SCHEMBL30962699 1.00 SRC (0.53) SRCWEE1SIK1SIK2SIK3
SCHEMBL27313416 0.97 WEE1 (0.54) SRCWEE1SIK1SIK2SIK3
SCHEMBL30962868 0.94 WEE1 (0.51) SRCWEE1SIK1SIK2SIK3
SCHEMBL30962799 0.93 SIK1 (0.54) SRCWEE1SIK1SIK2SIK3
SCHEMBL27313559 0.93 SIK1 (0.54) SRCWEE1SIK1SIK2SIK3
SCHEMBL30962787 0.93 WEE1 (0.51) SRCWEE1SIK1SIK2SIK3
SCHEMBL27313554 0.93 WEE1 (0.51) SRCWEE1SIK1SIK2SIK3
SCHEMBL30962807 0.93 WEE1 (0.50) SRCWEE1SIK1SIK2SIK3
SCHEMBL27313747 0.93 WEE1 (0.50) SRCWEE1SIK1SIK2SIK3
SCHEMBL30962713 0.92 WEE1 (0.49) SRCWEE1SIK1SIK2SIK3

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-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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