SCHEMBL8338772

SCHEMBL8338772

NC(=O)c1cnn2c(-c3ccccc3)ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 1.00
MAP2K1 Q02750 1/20 1.00
DYRK1B Q9Y463 1/20 1.00
TLR8 Q9NR97 1/20 0.73
KDM4E B2RXH2 5/20 0.68
PIM1 P11309 6/20 0.59
LIMK1 P53667 2/20 0.59
MAPK9 P45984 2/20 0.59
DYRK1A Q13627 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
ALDH1A1 P00352 3/20 0.59
GSK3A P49840 4/20 0.58
MAPK13 O15264 3/20 0.58
MARK2 Q7KZI7 2/20 0.58
AKT1 P31749 2/20 0.58
PIM3 Q86V86 2/20 0.58
PDPK1 O15530 1/20 0.58
PRKCZ Q05513 1/20 0.58
EPHA2 P29317 1/20 0.58
NTRK1 P04629 1/20 0.56

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
SCHEMBL9868803 0.89 MAP2K1 (0.80) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL9728658 0.88 MAP2K1 (0.78) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL7362738 0.84 CLK4 (0.73) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL8336450 0.84 TLR8 (0.74) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL8331920 0.84 TLR8 (1.00) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL11464570 0.82 CLK4 (0.70) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL8335009 0.81 TLR8 (0.73) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL8435070 0.81 KDM4E (1.00) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL10336150 0.80 TLR8 (0.71) CLK4MAP2K1DYRK1BTLR8KDM4E
SCHEMBL7366615 0.79 CLK4 (0.65) CLK4MAP2K1DYRK1BTLR8KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957918-A1 METHOD OF TREATING OR INHIBITING NEUTROPENIA American Cyanamid Company (US) 1999-11-24 EP disclosed
US-5932585-A Method of treating or inhibiting neutropenia AMERICAN CYANAMID COMPANY (US) 1999-08-03 US disclosed
WO-1998026781-A1 METHOD OF TREATING OR INHIBITING NEUTROPENIA AMERICAN CYANAMID COMPANY (US) 1998-06-25 WO disclosed
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed
US-4916137-A 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
EP-0329940-A1 5-(substituted)amino)-8- (phenyl or substituted phenyl)-3H,6H-1,2,5,a,8 a-tetraazaacenaphthylen-3-ones AMERICAN CYANAMID COMPANY (US) 1989-08-30 EP disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed