SCHEMBL7016305

SCHEMBL7016305

Cc1cc(C)n2c(NC(C)(C)C)c(-c3cccc(O)c3)nc2c1.Cc1cc(C)n2c(NC(C)(C)C)c(C3CCCCC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
ALOX5 P09917 4/20 0.38
TP53 P04637 2/20 0.37
ATM Q13315 2/20 0.37
TRPA1 O75762 4/20 0.36
PIK3CA P42336 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ADRA1B P35368 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL6654641 0.89 CREBBP (0.49) CREBBPGAAMAPTTP53TRPA1
SCHEMBL6651475 0.85 CREBBP (0.40) CREBBPGAAMAPTALOX5TP53
SCHEMBL7011739 0.82 GAA (0.52) CREBBPGAAMAPTTP53ATM
SCHEMBL5168350 0.78 CREBBP (0.66) CREBBPGAAMAPTTP53TRPA1
SCHEMBL6651479 0.77 CREBBP (0.57) CREBBPGAAMAPTTP53TRPA1
SCHEMBL5166516 0.74 MAPT (0.61) GAAMAPTTP53
SCHEMBL5169227 0.73 CREBBP (0.56) CREBBPGAAMAPTTP53
SCHEMBL6649635 0.72 GAA (0.60) GAAMAPTTP53TRPA1ADRA1B
SCHEMBL7015470 0.72 MAPT (0.48) GAAMAPTTP53TRPA1ADRA1B
SCHEMBL5166815 0.72 MAPT (0.48) CREBBPGAAMAPTTP53ATM

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
EP-1218378-B1 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2003-04-23 EP claimed