SCHEMBL5703288

SCHEMBL5703288

CC(C)c1[nH]c(=O)ccc1-c1nc(C(N)=O)c(N)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.33
SOAT1 P35610 2/20 0.33
PLAU P00749 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDC7 O00311 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.30
SLC9A5 Q14940 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
SCHEMBL5703348 0.81 KDM5B (0.38) DGAT1SOAT1CCNE2CCNE1CDK2
SCHEMBL5703309 0.81 ADORA2A (0.37) DGAT1SOAT1SLC9A5
SCHEMBL5703442 0.81 USP8 (0.43)
SCHEMBL5703301 0.80 DGAT1 (0.34) DGAT1SOAT1CDC7
SCHEMBL5703412 0.79 IKBKB (0.35) CDC7GRM5
SCHEMBL5703293 0.74 PLAU (0.40) PLAUKMT2A
SCHEMBL5703183 0.71 LDHA (0.37)
SCHEMBL5703212 0.70 DHODH (0.36)
SCHEMBL5703327 0.70 SLC9A1 (0.35) CCNE1CDK2CDC7
SCHEMBL4584131 0.68 ADORA2A (0.46) DGAT1SOAT1

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-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO disclosed