SCHEMBL12424822

SCHEMBL12424822

Cc1nn(-c2cc(C3(C)CC(Cl)=CC=C3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 1/20 0.32
▸ PLK1 P53350 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ KHK P50053 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
SCHEMBL12426285 0.73 TGFBR1 (0.44) ELANE
SCHEMBL12425341 0.70 IDO1 (0.40) SLC34A1PLK1ELANE
SCHEMBL12426538 0.69 ELANE (0.39) SLC34A1PLK1ELANE
SCHEMBL12424826 0.59 TGFBR1 (0.43) —
SCHEMBL17247300 0.59 CYP11B1 (0.45) ELANEKHK
SCHEMBL20074851 0.58 SLC34A1 (0.51) SLC34A1ELANE
SCHEMBL17238739 0.57 CYP11B1 (0.46) PLK1KHK
SCHEMBL17238734 0.56 PLK1 (0.42) PLK1KHK
SCHEMBL29591487 0.56 CYP11B2 (0.57) KHK
SCHEMBL13202647 0.56 CYP11B2 (0.57) KHK

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-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 — — WO disclosed
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