SCHEMBL27313552

SCHEMBL27313552

COc1nc(Nc2ccc(C3CCN(C)CC3)c(C)c2)ncc1C(=O)Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.52
▸ LCK P06239 3/20 0.50
▸ KDR P35968 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ SRC P12931 9/20 0.48
▸ PTK2 Q05397 3/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ HCK P08631 1/20 0.45
▸ ALK Q9UM73 1/20 0.44
▸ SIK1 P57059 1/20 0.43
▸ SIK2 Q9H0K1 1/20 0.43
▸ SIK3 Q9Y2K2 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.43

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
SCHEMBL30962624 1.00 WEE1 (0.52) WEE1LCKKDRJAK3TEK
SCHEMBL27313416 0.92 WEE1 (0.54) WEE1LCKKDRJAK3TEK
SCHEMBL30962687 0.92 WEE1 (0.48) WEE1LCKKDRJAK3TEK
SCHEMBL30962770 0.91 LCK (0.51) WEE1LCKKDRJAK3TEK
SCHEMBL27313423 0.91 LCK (0.51) WEE1LCKKDRJAK3TEK
SCHEMBL30962737 0.91 WEE1 (0.48) WEE1LCKKDRJAK3TEK
SCHEMBL27313419 0.91 SRC (0.53) WEE1LCKKDRJAK3TEK
SCHEMBL30962699 0.91 SRC (0.53) WEE1LCKKDRJAK3TEK
SCHEMBL30962905 0.90 LCK (0.50) WEE1LCKKDRJAK3TEK
SCHEMBL30962827 0.90 LCK (0.52) WEE1LCKKDRJAK3TEK

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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