SCHEMBL7369743

SCHEMBL7369743

O=C(c1cncc(F)c1)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAP2K1 Q02750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
TLR8 Q9NR97 1/20 0.47
BRAF P15056 1/20 0.44
MAPK14 Q16539 3/20 0.42
EPHA2 P29317 1/20 0.42
GSK3A P49840 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PIM1 P11309 2/20 0.41
MAPK9 P45984 1/20 0.41
DYRK1A Q13627 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
LIMK1 P53667 1/20 0.41
MAPK13 O15264 1/20 0.41
CDKN1A P38936 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
SCHEMBL7360098 0.88 MAP2K1 (0.56) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7365603 0.87 TLR8 (0.54) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7366983 0.85 KDM4E (0.54) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7366580 0.84 MAP2K1 (0.55) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7361400 0.84 CLK4 (0.62) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7366973 0.84 KDM4E (0.53) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7364870 0.83 BRAF (0.46) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7367505 0.82 KDM4E (0.56) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7362717 0.81 TLR8 (0.55) KDM4EMAP2K1CLK4DYRK1BTLR8
SCHEMBL7364229 0.81 CLK4 (0.55) 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