SCHEMBL7361645

SCHEMBL7361645

O=C(c1ccco1)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPK9 P45984 1/20 0.45
DYRK1A Q13627 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MARK2 Q7KZI7 2/20 0.44
LIMK1 P53667 2/20 0.44
PDPK1 O15530 1/20 0.44
PRKCZ Q05513 1/20 0.44
MAPK13 O15264 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIM1 P11309 2/20 0.43
CDKN1A P38936 1/20 0.42
GSK3A P49840 2/20 0.42

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
SCHEMBL7366615 0.90 CLK4 (0.65) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL5792691 0.88 MAP2K1 (0.54) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL5811459 0.84 TLR8 (0.54) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7360098 0.83 MAP2K1 (0.56) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL11162191 0.83 KDM4E (0.65) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7366580 0.82 MAP2K1 (0.55) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7361400 0.82 CLK4 (0.62) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7366525 0.82 MAP2K1 (0.47) MAP2K1CLK4DYRK1BTLR8KDM4E
Hydrochloric Acid SCHEMBL11366478 0.82 KDM4E (0.64) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL5800437 0.81 TLR8 (0.49) 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 7 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-4816247-A FOR INJECTIONS AMERICAN CYANAMID COMPANY (US) 1989-03-28 US disclosed
US-4784845-A FAT EMULSIONS WITH BENZYL ALCOHOL FOR DRUGS AMERICAN CYANAMID COMPANY (US) 1988-11-15 US disclosed
EP-0214501-A2 Emulsion compositions for administration of sparingly water soluble ionizable basic hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-18 EP disclosed
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