SCHEMBL6277293

SCHEMBL6277293

Cc1ccc(-n2ncc3c(NN)cncc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 7/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
NR3C1 P04150 1/20 0.38
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6390136 0.85 ALDH1A1 (0.48) MAPTLMNATP53NPC1RAB9A
SCHEMBL6237563 0.70 GSK3B (0.43)
SCHEMBL6253146 0.69 GSK3B (0.40) MAPTLMNATP53NPC1RAB9A
SCHEMBL6278086 0.69 GSK3B (0.49) MAPTLMNATP53NPC1RAB9A
SCHEMBL8344591 0.67 LMNA (0.74) XDHMAPTLMNATP53NPC1
SCHEMBL20283668 0.65 GAA (0.38) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4126308 0.65 MAPT (0.50) XDHMAPTLMNATP53NPC1
SCHEMBL19051717 0.65 CYP17A1 (0.45) XDHMAPTLMNATP53NPC1
Hydrochloric Acid SCHEMBL20265200 0.64 GAA (0.37) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12670786 0.63 ALDH1A1 (0.44) XDHMAPTLMNATP53NPC1

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-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed