SCHEMBL7366525

SCHEMBL7366525

O=C(c1ccco1)c1cnn2c(-c3ccsc3)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDM4E B2RXH2 4/20 0.45
CDKN1A P38936 1/20 0.43
TLR8 Q9NR97 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK9 P45984 2/20 0.41
DYRK1A Q13627 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAPK13 O15264 3/20 0.41
MARK2 Q7KZI7 2/20 0.41
LIMK1 P53667 2/20 0.41
PDPK1 O15530 1/20 0.41
PRKCZ Q05513 1/20 0.41
PIM1 P11309 5/20 0.39
GSK3A P49840 4/20 0.39
AKT1 P31749 2/20 0.39
PIM3 Q86V86 2/20 0.39
EPHA2 P29317 1/20 0.39

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
SCHEMBL5792691 0.86 MAP2K1 (0.54) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7366615 0.85 CLK4 (0.65) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7360785 0.83 CDKN1A (0.59) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL11161972 0.82 KDM4E (0.64) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7361645 0.82 MAP2K1 (0.52) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7404479 0.80 MAP2K1 (0.47) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL5811459 0.80 TLR8 (0.54) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7363798 0.77 KDM4E (0.47) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL5800437 0.77 TLR8 (0.49) MAP2K1CLK4DYRK1BKDM4ECDKN1A
SCHEMBL7360132 0.77 KDM4E (0.71) MAP2K1CLK4DYRK1BKDM4ETLR8

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
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed