SCHEMBL9451616

SCHEMBL9451616

COc1nc(C(=O)C(C)(C)C)[nH]c2nccc1-2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.36
DGAT1 O75907 1/20 0.33
PDE10A Q9Y233 3/20 0.31

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
SCHEMBL9451622 0.80 DGAT1 (0.34) DGAT1
SCHEMBL9451680 0.73 DGAT1 (0.34) DGAT1
SCHEMBL9451594 0.72 BTK (0.40) BTK
SCHEMBL4137619 0.62 HIPK2 (0.45)
SCHEMBL4651345 0.62 EGLN1 (0.60)
SCHEMBL4697109 0.62 ALDH1A1 (0.47)
SCHEMBL4145126 0.62 ACACB (0.43)
SCHEMBL8242559 0.62 TDP1 (0.45)
SCHEMBL7878824 0.61 SMN1; SMN2 (0.42)
SCHEMBL1335315 0.61 SMN1; SMN2 (0.42)

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-0567223-A1 Glutamic acid derivatives as antineoplastic agents ELI LILLY AND COMPANY (US) 1993-10-27 EP disclosed
US-5196424-A Antitumor ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed