SCHEMBL9728658

SCHEMBL9728658

NC(=O)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.78
CLK4 Q9HAZ1 1/20 0.78
DYRK1B Q9Y463 1/20 0.78
TLR8 Q9NR97 1/20 0.68
KDM4E B2RXH2 4/20 0.64
MKNK1 Q9BUB5 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PIM1 P11309 2/20 0.47
LIMK1 P53667 2/20 0.47
MAPK9 P45984 1/20 0.47
DYRK1A Q13627 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MARK2 Q7KZI7 2/20 0.47
GSK3A P49840 2/20 0.47
PDPK1 O15530 1/20 0.47
PRKCZ Q05513 1/20 0.47
EPHA2 P29317 1/20 0.47

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
SCHEMBL11162191 0.89 KDM4E (0.65) MAP2K1CLK4DYRK1BTLR8KDM4E
Hydrochloric Acid SCHEMBL11366478 0.88 KDM4E (0.64) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL8338772 0.88 CLK4 (1.00) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL11167079 0.87 MAP2K1 (0.59) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL11167453 0.86 MAP2K1 (0.57) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL9868803 0.85 MAP2K1 (0.80) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7360098 0.85 MAP2K1 (0.56) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7366580 0.84 MAP2K1 (0.55) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7361400 0.84 CLK4 (0.62) MAP2K1CLK4DYRK1BTLR8KDM4E
SCHEMBL7364047 0.82 MAP2K1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed
US-5013737-A Hypotensive, anxiolytic, cognitive disorders AMERICAN CYANAMID COMPANY (US) 1991-05-07 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0025819-B1 SUBSTITUTED PYRAZOLO (1,5-A) PYRIMIDINES, AND THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-10-12 EP disclosed
US-4281000-A Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0025819-A1 Substituted pyrazolo (1,5-a) pyrimidines, and their preparation AMERICAN CYANAMID COMPANY (US) 1981-04-01 EP disclosed