SCHEMBL24651058

SCHEMBL24651058

Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3)nn2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.56
▸ KDR P35968 13/20 0.56
▸ ABL1 P00519 12/20 0.56
▸ EGFR P00533 12/20 0.56
▸ HCK P08631 12/20 0.56
▸ SRC P12931 12/20 0.56
▸ PIK3CA P42336 12/20 0.56
▸ PIK3CB P42338 12/20 0.56
▸ MTOR P42345 12/20 0.56
▸ PIK3CG P48736 12/20 0.56
▸ EPHB4 P54760 12/20 0.56
▸ PRKDC P78527 12/20 0.56
▸ PI4KB Q9UBF8 8/20 0.56
▸ BTK Q06187 5/20 0.47
▸ EIF2AK3 Q9NZJ5 2/20 0.45
▸ RET P07949 1/20 0.44

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
SCHEMBL30120806 1.00 PIK3CD (0.56) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651055 0.93 PIK3CD (0.52) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120913 0.93 PIK3CD (0.52) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120847 0.91 PIK3CD (0.48) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651164 0.91 PIK3CD (0.48) PIK3CDKDRABL1EGFRHCK
SCHEMBL24650649 0.88 KDR (0.50) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120839 0.88 KDR (0.50) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651153 0.82 SRC (0.59) PIK3CDKDRABL1EGFRHCK
SCHEMBL30120814 0.82 SRC (0.59) PIK3CDKDRABL1EGFRHCK
SCHEMBL24651194 0.80 SRC (0.53) ABL1EGFRSRC

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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