SCHEMBL7394656

SCHEMBL7394656

Cc1cccnc1C(=O)c1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
TLR8 Q9NR97 1/20 0.51
PIM1 P11309 5/20 0.48
GSK3A P49840 4/20 0.48
CDK1 P06493 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
PLK1 P53350 1/20 0.48
AURKB Q96GD4 1/20 0.48
EPHA2 P29317 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
AKT1 P31749 2/20 0.46
PIM3 Q86V86 2/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LIMK1 P53667 2/20 0.44
MAPK13 O15264 3/20 0.44
MARK2 Q7KZI7 2/20 0.44

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
SCHEMBL7398476 0.90 MAP2K1 (0.52) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7400033 0.87 MAP2K1 (0.51) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7370686 0.87 KDM4E (0.51) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7362717 0.83 TLR8 (0.55) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7370760 0.83 KDM4E (0.68) TLR8PIM1GSK3ACDK1MAPKAPK2
SCHEMBL7360098 0.82 MAP2K1 (0.56) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL11167079 0.82 MAP2K1 (0.59) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL11162191 0.82 KDM4E (0.65) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7364047 0.82 MAP2K1 (0.56) MAP2K1CLK4DYRK1BTLR8PIM1
SCHEMBL7366580 0.81 MAP2K1 (0.55) MAP2K1CLK4DYRK1BTLR8PIM1

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