SCHEMBL24573584

SCHEMBL24573584

Fc1ccc2c(-c3cn[nH]c3)c(-c3nc(C(F)(F)F)n[nH]3)[nH]c2c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.32
▸ EGFR P00533 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL30248821 1.00 NPBWR1 (0.32) NPBWR1EGFRCLK2CLK3DYRK1A
SCHEMBL24573624 0.90 NPBWR1 (0.37) NPBWR1EGFRCLK2CLK3DYRK1A
SCHEMBL30248907 0.90 NPBWR1 (0.37) NPBWR1EGFRCLK2CLK3DYRK1A
SCHEMBL24573606 0.84 NPBWR1 (0.37) NPBWR1EGFR
SCHEMBL30248641 0.82 NPBWR1 (0.36) NPBWR1
SCHEMBL24573134 0.82 NPBWR1 (0.36) NPBWR1
SCHEMBL29735024 0.81 NPBWR1 (0.35) NPBWR1
SCHEMBL24573627 0.81 NPBWR1 (0.35) NPBWR1
SCHEMBL24573587 0.81 EGFR (0.33) NPBWR1EGFR
SCHEMBL30248997 0.81 EGFR (0.33) NPBWR1EGFR

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-2022137085-A1 INDOLE DERIVATIVES USEFUL IN TREATING CONDITIONS ASSOCIATED WITH CGAS NOVARTIS AG (CH) 2022-06-30 — — WO disclosed
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