SCHEMBL17088487

SCHEMBL17088487

C=C(N)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.66
MAPK9 P45984 8/20 0.59
FLT3 P36888 4/20 0.57
TYRO3 Q06418 4/20 0.57
MERTK Q12866 4/20 0.57
GAS6 Q14393 4/20 0.57
AXL P30530 2/20 0.57
SYK P43405 1/20 0.50

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
SCHEMBL14657596 0.89 MAPK8 (0.83) MAPK8MAPK9SYK
SCHEMBL14657597 0.89 MAPK8 (0.83) MAPK8MAPK9SYK
SCHEMBL14657833 0.89 MAPK8 (0.83) MAPK8MAPK9SYK
SCHEMBL14667173 0.89 MAPK8 (0.83) MAPK8MAPK9SYK
SCHEMBL14657828 0.89 MAPK8 (0.83) MAPK8MAPK9SYK
SCHEMBL14658179 0.87 MAPK8 (0.84) MAPK8MAPK9SYK
SCHEMBL14658180 0.87 MAPK8 (0.84) MAPK8MAPK9SYK
SCHEMBL17088459 0.87 MAPK8 (0.84) MAPK8MAPK9SYK
SCHEMBL14656999 0.87 MAPK8 (0.84) MAPK8MAPK9SYK
SCHEMBL14657000 0.87 MAPK8 (0.84) MAPK8MAPK9SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 US disclosed