SCHEMBL24651055

SCHEMBL24651055

Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.52
▸ KDR P35968 11/20 0.52
▸ PIK3CA P42336 9/20 0.52
▸ PIK3CG P48736 9/20 0.52
▸ ABL1 P00519 7/20 0.52
▸ EGFR P00533 7/20 0.52
▸ HCK P08631 7/20 0.52
▸ SRC P12931 7/20 0.52
▸ PIK3CB P42338 7/20 0.52
▸ MTOR P42345 7/20 0.52
▸ EPHB4 P54760 7/20 0.52
▸ PRKDC P78527 7/20 0.52
▸ PI4KB Q9UBF8 6/20 0.52
▸ RET P07949 6/20 0.51
▸ BTK Q06187 3/20 0.46

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
SCHEMBL30120913 1.00 PIK3CD (0.52) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL24651058 0.93 PIK3CD (0.56) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL30120806 0.93 PIK3CD (0.56) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL30120847 0.91 PIK3CD (0.48) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL24651164 0.91 PIK3CD (0.48) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL24650649 0.82 KDR (0.50) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL30120839 0.82 KDR (0.50) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL24651165 0.79 KDR (0.49) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL30121083 0.79 KDR (0.49) PIK3CDKDRPIK3CAPIK3CGABL1
SCHEMBL24651153 0.78 SRC (0.59) PIK3CDKDRPIK3CAPIK3CGABL1

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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