SCHEMBL11077404

SCHEMBL11077404

CCSc1cc(SCC)cc(C2CN=C(N)N(C)C2)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
ATM Q13315 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
SCHEMBL11078183 0.86 BRD4 (0.35) BACE1
SCHEMBL11085800 0.78 SRD5A1 (0.36) BACE1
SCHEMBL11077942 0.75 DRD3 (0.39) ATM
SCHEMBL11101543 0.75 BACE1 (0.33) BACE1ATM
SCHEMBL11281643 0.74
SCHEMBL11079502 0.73 GABRP (0.33)
SCHEMBL11078142 0.73 BRD4 (0.33)
SCHEMBL11072826 0.71 BRD4 (0.53)
SCHEMBL11087497 0.70 BRD4 (0.38)
SCHEMBL11090881 0.69 SRD5A1 (0.53)

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed