SCHEMBL27313752

SCHEMBL27313752

COc1nc(Nc2ccc(C3CCN(C)CC3)c(C)c2)ncc1C(=O)Nc1c(Cl)ccc(O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.47
▸ SIK1 P57059 2/20 0.43
▸ SIK2 Q9H0K1 2/20 0.43
▸ SIK3 Q9Y2K2 2/20 0.43
▸ SRC P12931 10/20 0.43
▸ BRD4 O60885 4/20 0.43
▸ LCK P06239 2/20 0.43
▸ KDR P35968 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TNK2 Q07912 1/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ HCK P08631 1/20 0.40

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
SCHEMBL30962904 1.00 WEE1 (0.47) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962812 0.94 WEE1 (0.47) WEE1SIK1SIK2SIK3SRC
SCHEMBL27313416 0.92 WEE1 (0.54) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962699 0.90 SRC (0.53) WEE1SIK1SIK2SIK3SRC
SCHEMBL27313419 0.90 SRC (0.53) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962688 0.89 SIK1 (0.48) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962868 0.89 WEE1 (0.51) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962737 0.89 WEE1 (0.48) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962897 0.89 SIK1 (0.47) WEE1SIK1SIK2SIK3SRC
SCHEMBL30962787 0.88 WEE1 (0.51) WEE1SIK1SIK2SIK3SRC

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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