SCHEMBL14641639

SCHEMBL14641639

Nc1nc(CI)c2[nH]ncc2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ PTK2 Q05397 1/20 0.32

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
SCHEMBL361678 0.75 PDPK1 (0.39) MAPTHTTPTK2
SCHEMBL4106173 0.72 DPP4 (0.43) MAPTHTTPTK2
SCHEMBL14536607 0.71 ADORA2A (0.44) MAPTHTT
SCHEMBL23730112 0.62 TLR8 (0.53) —
SCHEMBL4830696 0.60 NOS1 (0.37) MAPTHTTPTK2
SCHEMBL10803369 0.59 SLC2A1 (0.44) MAPTHTTPTK2
SCHEMBL3837505 0.59 PNP (0.48) MAPT
SCHEMBL19964519 0.59 HTT (0.52) MAPTHTTPTK2
SCHEMBL23530790 0.59 ALDH1A1 (0.44) MAPTHTT
SCHEMBL19661001 0.57 HTT (0.44) MAPTHTTPTK2

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
US-8354532-B2 Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2013-01-15 — — US disclosed
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