SCHEMBL11100732

SCHEMBL11100732

Nc1cnc(NC2CCC(O)CC2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.50
MAPK10 P53779 4/20 0.50
MAPK9 P45984 7/20 0.48
GSK3A P49840 5/20 0.44
GSK3B P49841 4/20 0.44
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
JUN P05412 1/20 0.43
AXL P30530 1/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL10998071 0.94 MAPK8 (0.41) MAPK8MAPK10MAPK9
SCHEMBL10996398 0.87 ULK1 (0.48) MAPK8MAPK9AXLFLT3TYRO3
SCHEMBL11000513 0.87 PAK1 (0.47) MAPK8MAPK9ADORA1AXLFLT3
SCHEMBL11002130 0.86 GRM5 (0.49) MAPK8MAPK10MAPK9JUNFLT3
SCHEMBL10999501 0.86 PAK1 (0.49) MAPK8AXLFLT3TYRO3MERTK
SCHEMBL10998140 0.86 PAK1 (0.49) MAPK8AXLFLT3TYRO3MERTK
SCHEMBL384642 0.81 MAPK8 (0.58) MAPK8MAPK10MAPK9GSK3AGSK3B
SCHEMBL384641 0.81 MAPK8 (0.58) MAPK8MAPK10MAPK9GSK3AGSK3B
SCHEMBL11099362 0.78 MAPK8 (0.49) MAPK8MAPK10MAPK9GSK3AGSK3B
SCHEMBL14671138 0.76 MAPK8 (0.50) MAPK8MAPK10MAPK9GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021176-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-01-18 EP disclosed
EP-0035161-B1 CEPHALOSPORINS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1983-11-23 EP disclosed
US-4388315-A TAUTOMERIC PYRIMIDINE DERIVATIVES BOEHRINGER INGELEHEIM GMBH (DE) 1983-06-14 US disclosed
US-4370327-A Cephalosporins and pharmaceutical compositions BOEHRINGER INGELHEIM GMBH (DE) 1983-01-25 US disclosed
EP-0016374-B1 PENICILLINS, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1982-03-03 EP disclosed
US-4316898-A AS ANTIBIOTICS BOEHRINGER INGELHEIM KG (DE) 1982-02-23 US disclosed
EP-0044992-A1 Lactams, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-02-03 EP disclosed
US-4289775-A BACTERICIDAL ANTIBIOTICS KARL THOMAE GMBH (DE) 1981-09-15 US disclosed
EP-0035161-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing these compounds Dr. Karl Thomae GmbH (DE) 1981-09-09 EP disclosed
EP-0021176-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1981-01-07 EP disclosed
EP-0016374-A1 Penicillins, their salts, process for their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1980-10-01 EP disclosed