SCHEMBL21339637

SCHEMBL21339637

COc1cnc2c(C3=CCN(C(=O)O)CC3)ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.42
MAPK7 Q13164 1/20 0.42
LIMK1 P53667 10/20 0.42
LIMK2 P53671 10/20 0.42
QDPR P09417 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21332342 0.87 KIT (0.46) KITMAPK7
SCHEMBL21332385 0.83 LIMK1 (0.43) KITLIMK1LIMK2
SCHEMBL22324984 0.73 QDPR (0.47) QDPRTDP1
SCHEMBL21339753 0.73 KIT (0.46) KIT
SCHEMBL21339752 0.72 MAPK7 (0.66) MAPK7
SCHEMBL21332199 0.70 KIT (0.47) KITMAPK7LIMK1LIMK2
SCHEMBL21332105 0.70 MAPK7 (0.42) KITMAPK7LIMK1LIMK2QDPR
SCHEMBL14562979 0.69 QDPR (0.53) QDPRTDP1
SCHEMBL28868855 0.69 ACHE (0.41) MAPK7QDPR
SCHEMBL27828522 0.68 LIMK1 (0.39) KITLIMK1LIMK2

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
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO disclosed