SCHEMBL24651164

SCHEMBL24651164

Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1COC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.48
▸ KDR P35968 13/20 0.48
▸ ABL1 P00519 11/20 0.48
▸ EGFR P00533 11/20 0.48
▸ HCK P08631 11/20 0.48
▸ SRC P12931 11/20 0.48
▸ PIK3CA P42336 11/20 0.48
▸ PIK3CB P42338 11/20 0.48
▸ MTOR P42345 11/20 0.48
▸ PIK3CG P48736 11/20 0.48
▸ PRKDC P78527 11/20 0.48
▸ PI4KB Q9UBF8 10/20 0.48
▸ EPHB4 P54760 10/20 0.48
▸ BTK Q06187 5/20 0.45
▸ RET P07949 3/20 0.43
▸ EIF2AK3 Q9NZJ5 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
SCHEMBL30120847 1.00 PIK3CD (0.48) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651058 0.91 PIK3CD (0.56) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120806 0.91 PIK3CD (0.56) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120913 0.91 PIK3CD (0.52) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651055 0.91 PIK3CD (0.52) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651165 0.89 KDR (0.49) PIK3CDKDRABL1EGFRHCK
SCHEMBL30121083 0.89 KDR (0.49) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651153 0.79 SRC (0.59) PIK3CDKDRABL1EGFRHCK
SCHEMBL24650649 0.79 KDR (0.50) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120814 0.79 SRC (0.59) PIK3CDKDRABL1EGFRHCK

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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