SCHEMBL11099362

SCHEMBL11099362

Nc1cnc(NC2CCC(O)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.49
MAPK10 P53779 3/20 0.49
MAPK9 P45984 5/20 0.48
MAPK1 P28482 2/20 0.46
TYRO3 Q06418 4/20 0.44
MERTK Q12866 4/20 0.44
FLT3 P36888 3/20 0.44
GAS6 Q14393 3/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
ADORA1 P30542 2/20 0.42
AXL P30530 2/20 0.42
JUN P05412 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL2949550 0.90 MAPK1 (0.48) MAPK8MAPK10MAPK9MAPK1HDAC3
SCHEMBL24756044 0.83 MKNK1 (0.40) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL30136596 0.83 MKNK1 (0.40) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL16039970 0.81 MAPK8 (0.49) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL16039969 0.81 MAPK8 (0.49) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL29761508 0.80 MAPK8 (0.55) MAPK8MAPK10MAPK9FLT3HDAC3
SCHEMBL17730228 0.79 KDM4E (0.64) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL17730226 0.79 KDM4E (0.64) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL26813998 0.79 KDM4E (0.64) MAPK8MAPK10MAPK9MAPK1TYRO3
SCHEMBL11100732 0.78 MAPK8 (0.50) MAPK8MAPK10MAPK9TYRO3MERTK

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 3 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
US-4388315-A TAUTOMERIC PYRIMIDINE DERIVATIVES BOEHRINGER INGELEHEIM GMBH (DE) 1983-06-14 US 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