SCHEMBL17690273

SCHEMBL17690273

CC1CCCc2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.50
HRH3 Q9Y5N1 14/20 0.45
HRH2 P25021 8/20 0.45
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL24589696 0.80 HRH3 (0.40) LIMK1HRH3HRH2NOS3NOS1
SCHEMBL12294286 0.71 LIMK1 (0.54) LIMK1HRH3HRH2NOS3NOS1
SCHEMBL12288911 0.70 EPAS1 (0.48) LIMK1
SCHEMBL10288720 0.68 LIMK1 (0.34) LIMK1
SCHEMBL9538574 0.66 HRH3 (0.34) LIMK1HRH3HRH2
SCHEMBL9433906 0.65 LIMK1 (0.46) LIMK1NOS3NOS1NOS2
SCHEMBL30095833 0.65 LIMK1 (0.46) LIMK1NOS3NOS1NOS2
SCHEMBL361602 0.65 LIMK1 (0.46) LIMK1NOS3NOS1NOS2
SCHEMBL14280462 0.64 CCR1 (0.40) HRH3HRH2
SCHEMBL13686454 0.63 LIMK1 (0.40) LIMK1

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
EP-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 EP disclosed