SCHEMBL7366615

SCHEMBL7366615

O=C(c1ccco1)c1cnn2c(-c3ccccc3)ccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.65
MAP2K1 Q02750 1/20 0.65
DYRK1B Q9Y463 1/20 0.65
MAPK9 P45984 2/20 0.55
DYRK1A Q13627 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPK13 O15264 3/20 0.54
MARK2 Q7KZI7 2/20 0.54
LIMK1 P53667 2/20 0.54
PDPK1 O15530 1/20 0.54
PRKCZ Q05513 1/20 0.54
PIM1 P11309 6/20 0.53
ALDH1A1 P00352 2/20 0.52
GSK3A P49840 4/20 0.52
AKT1 P31749 2/20 0.52
PIM3 Q86V86 2/20 0.52
EPHA2 P29317 1/20 0.52
CDK1 P06493 1/20 0.49
MAPKAPK2 P49137 1/20 0.49

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
SCHEMBL5792691 0.92 MAP2K1 (0.54) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL7361645 0.90 MAP2K1 (0.52) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL5811459 0.87 TLR8 (0.54) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL10730799 0.85 MARK2 (0.53) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL10731164 0.85 CDKN1A (0.56) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL7366525 0.85 MAP2K1 (0.47) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL5808836 0.84 BRAF (0.57) MAPK9DYRK1AIRAK4MAPK13MARK2
SCHEMBL7363798 0.84 KDM4E (0.47) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL5800437 0.84 TLR8 (0.49) CLK4MAP2K1DYRK1BMAPK9DYRK1A
SCHEMBL7360132 0.84 KDM4E (0.71) CLK4MAP2K1DYRK1BKDM4ETLR8

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