SCHEMBL7257263

SCHEMBL7257263

CC(O)Cn1nc(-c2cnc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.45
ADORA2A P29274 10/20 0.45
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6133923 0.85 ADORA1 (0.47) ADORA1ADORA2AHTT
SCHEMBL6134167 0.84 ADORA1 (0.45) ADORA1ADORA2AHSD17B10
SCHEMBL6133381 0.82 POLB (0.48) ADORA1ADORA2AMAPTNPSR1
SCHEMBL6134324 0.81 ADORA1 (0.47) ADORA1ADORA2A
SCHEMBL6133393 0.81 ADORA1 (0.48) ADORA1ADORA2AMAPTNPSR1
SCHEMBL6133471 0.79 ADORA1 (0.50) ADORA1ADORA2A
SCHEMBL6133694 0.77 ADORA1 (0.46) ADORA1ADORA2AMAPTNPSR1
SCHEMBL6133912 0.75 ADORA1 (0.44) ADORA1ADORA2A
SCHEMBL6133581 0.73 ADORA1 (0.49) ADORA1ADORA2AHTTMAPT
SCHEMBL6539249 0.72 TP53 (0.40) KDM4EHSD17B10HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed