SCHEMBL7364047

SCHEMBL7364047

O=C(c1ccccn1)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 4/20 0.47
PIM1 P11309 5/20 0.46
LIMK1 P53667 2/20 0.46
MAPK9 P45984 2/20 0.46
DYRK1A Q13627 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GSK3A P49840 4/20 0.45
MAPK13 O15264 3/20 0.45
MARK2 Q7KZI7 2/20 0.45
AKT1 P31749 2/20 0.45
PIM3 Q86V86 2/20 0.45
PDPK1 O15530 1/20 0.45
PRKCZ Q05513 1/20 0.45
EPHA2 P29317 1/20 0.45

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
Ocinaplon SCHEMBL122652 0.89 CLK4 (0.60) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7361400 0.86 CLK4 (0.62) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7366973 0.85 KDM4E (0.53) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7367200 0.85 TLR8 (0.58) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7367505 0.85 KDM4E (0.56) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7402325 0.85 MAP2K1 (0.50) MAP2K1CLK4DYRK1BTLR8KDM4E
Ocinaplon SCHEMBL4726635 0.85 CLK4 (0.55) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7360098 0.84 MAP2K1 (0.56) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL11162191 0.84 KDM4E (0.65) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL5792482 0.84 TLR8 (0.56) MAP2K1CLK4DYRK1BTLR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US claimed
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 claimed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
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