SCHEMBL9451697

SCHEMBL9451697

C#Cc1c[nH]c2nc(C(=O)C(C)(C)C)nc(N(CC)CC)c12

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9451673 0.63 DYRK1A (0.35)
SCHEMBL9451612 0.57 PDPK1 (0.41)
SCHEMBL9451618 0.56 ADORA2A (0.37) KDM4E
SCHEMBL25694553 0.52 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12221454 0.51 LMNA (0.32)
SCHEMBL26054506 0.51 CNR2 (0.53) KDM4EALDH1A1
SCHEMBL24735553 0.50 LRRK2 (0.40)
SCHEMBL27420022 0.50 GFER (0.32) ALDH1A1
SCHEMBL18997275 0.49 HCAR3 (0.53) ALDH1A1
SCHEMBL26054475 0.49 ALDH1A1 (0.44) KDM4EALDH1A1

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