SCHEMBL6288428

SCHEMBL6288428

CCC(C)c1nc(C)c2c(-n3cncn3)nc(-c3ccc(C)cc3)nn12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL6291873 0.91 MAPT (0.31) MAPTTP53POLBADORA3ALDH1A1
SCHEMBL6291360 0.89 LMNA (0.32) TP53ALDH1A1
SCHEMBL6288364 0.86 GRM7 (0.39) MAPTTP53ALDH1A1
SCHEMBL6291459 0.83 S1PR1 (0.37) MAPTTP53
SCHEMBL6288381 0.82 LMNA (0.34) MAPTTP53POLBADORA3ALDH1A1
SCHEMBL6291357 0.79 SMN1; SMN2 (0.39) MAPTTP53POLBADORA3ALDH1A1
SCHEMBL6291832 0.76 GRM7 (0.41) MAPTTP53POLBALDH1A1
SCHEMBL8361378 0.75 ALDH1A1 (0.42) MAPTPOLBALDH1A1
SCHEMBL6288552 0.75 GRM7 (0.38) MAPTTP53
SCHEMBL5620144 0.73 AHR (0.36) MAPTADORA3ALDH1A1

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-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed