SCHEMBL27313569

SCHEMBL27313569

COc1nc(Nc2ccc(C3CCN(C)CC3)c(C)c2)ncc1C(=O)Nc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.48
▸ KDR P35968 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ PKMYT1 Q99640 2/20 0.46
▸ PTK2 Q05397 5/20 0.45
▸ TBK1 Q9UHD2 5/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ WEE1 P30291 1/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ SIK1 P57059 1/20 0.42
▸ SIK2 Q9H0K1 1/20 0.42
▸ SIK3 Q9Y2K2 1/20 0.42

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
SCHEMBL30962653 1.00 LCK (0.48) LCKKDRJAK3TEKMAPK14
SCHEMBL30962905 0.93 LCK (0.50) LCKKDRJAK3TEKMAPK14
SCHEMBL27313423 0.89 LCK (0.51) LCKKDRJAK3TEKMAPK14
SCHEMBL30962770 0.89 LCK (0.51) LCKKDRJAK3TEKMAPK14
SCHEMBL30962656 0.89 WEE1 (0.49) LCKKDRJAK3TEKMAPK14
SCHEMBL27313755 0.89 SIK1 (0.44) LCKKDRJAK3TEKMAPK14
SCHEMBL30962584 0.89 SIK1 (0.44) LCKKDRJAK3TEKMAPK14
SCHEMBL30962624 0.89 WEE1 (0.52) LCKKDRJAK3TEKMAPK14
SCHEMBL27313552 0.89 WEE1 (0.52) LCKKDRJAK3TEKMAPK14
SCHEMBL30962827 0.88 LCK (0.52) LCKKDRJAK3TEKMAPK14

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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