SCHEMBL19661001

SCHEMBL19661001

Cc1nc(I)c2[nH]ncc2n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ SLC2A1 P11166 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL20674123 0.79 HTT (0.47) HTTPTK2SLC2A1MAPT
SCHEMBL29863669 0.76 NOS1 (0.37) HTTPTK2SLC2A1
SCHEMBL23889355 0.76 HTT (0.44) HTTPTK2SLC2A1MAPT
SCHEMBL24121744 0.76 HTT (0.44) HTTPTK2SLC2A1MAPT
SCHEMBL8423993 0.74 HTT (0.42) HTTPTK2SLC2A1MAPT
SCHEMBL22268064 0.73 HTT (0.41) HTTPTK2SLC2A1MAPT
SCHEMBL19661012 0.68 KDR (0.44) —
SCHEMBL24348563 0.68 ALDH1A1 (0.39) HTT
SCHEMBL4839832 0.67 HTT (0.38) HTTPTK2
SCHEMBL19964519 0.67 HTT (0.52) HTTPTK2SLC2A1MAPT

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-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 — — WO disclosed
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