SCHEMBL6984423

SCHEMBL6984423

CC(C)n1nc(-c2cc(OCCCN(C)C)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6983312 0.95 HTT (0.37) ATMALDH1A1HTT
SCHEMBL6987419 0.88 ALDH1A1 (0.43) ALDH1A1HTT
SCHEMBL6987686 0.87 SIGMAR1 (0.45) ALDH1A1HTT
SCHEMBL6987971 0.86 HTT (0.38) ALDH1A1HTT
SCHEMBL6987183 0.85 TSHR (0.45) ALDH1A1HTT
SCHEMBL6987611 0.84 SIGMAR1 (0.44)
SCHEMBL6990721 0.82 SIGMAR1 (0.46)
SCHEMBL6986812 0.82 ALDH1A1 (0.40) ATMALDH1A1HTT
SCHEMBL6986605 0.82 HTT (0.48) ALDH1A1HTT
SCHEMBL6982995 0.82 HRH3 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed