SCHEMBL7370686

SCHEMBL7370686

O=C(c1ncccc1F)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAP2K1 Q02750 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
TLR8 Q9NR97 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PIM1 P11309 2/20 0.42
LIMK1 P53667 2/20 0.42
MAPK9 P45984 1/20 0.42
DYRK1A Q13627 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
BRAF P15056 1/20 0.42
MARK2 Q7KZI7 2/20 0.41
GSK3A P49840 2/20 0.41
PDPK1 O15530 1/20 0.41
PRKCZ Q05513 1/20 0.41
EPHA2 P29317 1/20 0.41
MAPK13 O15264 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL10939287 0.90 KDM4E (0.55) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7364229 0.88 CLK4 (0.55) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7400033 0.87 MAP2K1 (0.51) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7394656 0.87 MAP2K1 (0.51) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7400081 0.83 KDM4E (0.70) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7360098 0.82 MAP2K1 (0.56) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL11162191 0.82 KDM4E (0.65) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7364047 0.82 MAP2K1 (0.56) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7366580 0.81 MAP2K1 (0.55) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7361400 0.81 CLK4 (0.62) KDM4EMAP2K1CLK4DYRK1BTLR8

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