SCHEMBL30121083

SCHEMBL30121083

Nc1ncnc2c1c(-c1ccc3c(c1Cl)CCN3)nn2C1COC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.49
▸ RET P07949 12/20 0.49
▸ PIK3CD O00329 8/20 0.45
▸ ABL1 P00519 7/20 0.45
▸ EGFR P00533 7/20 0.45
▸ HCK P08631 7/20 0.45
▸ SRC P12931 7/20 0.45
▸ PIK3CA P42336 7/20 0.45
▸ PIK3CB P42338 7/20 0.45
▸ MTOR P42345 7/20 0.45
▸ PIK3CG P48736 7/20 0.45
▸ EPHB4 P54760 7/20 0.45
▸ PRKDC P78527 7/20 0.45
▸ PI4KB Q9UBF8 7/20 0.45
▸ BTK Q06187 1/20 0.41

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
SCHEMBL24651165 1.00 KDR (0.49) KDRRETPIK3CDABL1EGFR
SCHEMBL24650649 0.91 KDR (0.50) KDRRETPIK3CDABL1EGFR
SCHEMBL30120839 0.91 KDR (0.50) KDRRETPIK3CDABL1EGFR
SCHEMBL30120847 0.89 PIK3CD (0.48) KDRRETPIK3CDABL1EGFR
SCHEMBL24651164 0.89 PIK3CD (0.48) KDRRETPIK3CDABL1EGFR
SCHEMBL24651055 0.79 PIK3CD (0.52) KDRRETPIK3CDABL1EGFR
SCHEMBL30120913 0.79 PIK3CD (0.52) KDRRETPIK3CDABL1EGFR
SCHEMBL24651142 0.79 SRC (0.52) KDRRETPIK3CDABL1EGFR
SCHEMBL24651058 0.79 PIK3CD (0.56) KDRRETPIK3CDABL1EGFR
SCHEMBL30120787 0.79 SRC (0.52) KDRRETPIK3CDABL1EGFR

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
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