SCHEMBL27654591

SCHEMBL27654591

CC(=O)Nc1nccc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
PRNP P04156 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.44
CDK4 P11802 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK14 Q16539 1/20 0.43
CDC7 O00311 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL5629171 0.79 KDM4E (0.46) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL4543263 0.79 CYP1A2 (0.56) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL15305786 0.79 KDM4E (0.46) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL14298343 0.79 L3MBTL1 (0.54) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL23015811 0.79 KDM4E (0.43) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL30421382 0.79 CYP1A2 (0.64) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL757416 0.78 AURKA (0.47) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL29768000 0.77 ATR (0.46) RAB9ANPC1
SCHEMBL22186826 0.76 KDM4E (0.69) RAB9ANPC1RXFP1KDM4EPOLB
SCHEMBL2712669 0.75 KDM4E (0.43) RAB9ANPC1RXFP1KDM4EPOLB

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
CN-100424083-C Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2008-10-08 CN disclosed
CN-1935805-A Pyrimidine derivative compound and its preparing method GUANGXI NAT UNIV (CN) 2007-03-28 CN disclosed