SCHEMBL7360098

SCHEMBL7360098

O=C(c1cccnc1)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
KDM4E B2RXH2 4/20 0.50
TLR8 Q9NR97 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
BRAF P15056 1/20 0.47
PIM1 P11309 4/20 0.46
LIMK1 P53667 2/20 0.46
MAPK9 P45984 1/20 0.46
DYRK1A Q13627 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GSK3A P49840 3/20 0.45
MARK2 Q7KZI7 2/20 0.45
MAPK13 O15264 2/20 0.45
PDPK1 O15530 1/20 0.45
PRKCZ Q05513 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
SCHEMBL7361400 0.94 CLK4 (0.62) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7366580 0.91 MAP2K1 (0.55) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7367609 0.91 MAP2K1 (0.55) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7362717 0.88 TLR8 (0.55) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7369743 0.88 KDM4E (0.52) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7365603 0.88 TLR8 (0.54) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL11162191 0.87 KDM4E (0.65) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7404479 0.86 MAP2K1 (0.47) MAP2K1CLK4DYRK1BKDM4ETLR8
SCHEMBL7365839 0.86 KDM4E (0.50) MAP2K1CLK4DYRK1BKDM4ETLR8
Hydrochloric Acid SCHEMBL11366478 0.86 KDM4E (0.64) 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 2 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 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