SCHEMBL16309183

SCHEMBL16309183

Cc1ccccc1Cn1c(=O)c(-c2c(C)nn(S(=O)(=O)C3CCOCC3)c2C)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 19/20 0.48
PAK3 O75914 1/20 0.42
PAK4 O96013 1/20 0.42
LIMK1 P53667 1/20 0.42
LIMK2 P53671 1/20 0.42
PAK1 Q13153 1/20 0.42
PAK2 Q13177 1/20 0.42
PKN1 Q16512 1/20 0.42

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
SCHEMBL15036060 0.96 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036138 0.87 TNK2 (0.48) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL16309177 0.77 PTK2 (0.43) TNK2PAK4PKN1
SCHEMBL15036015 0.76 PTK2 (0.48) TNK2PAK4PKN1
SCHEMBL13553749 0.76 TNK2 (0.53) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036388 0.74 TNK2 (0.42) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15036034 0.74 TNK2 (0.55) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL15785302 0.74 TNK2 (0.51) TNK2PAK3PAK4LIMK1LIMK2
SCHEMBL16310846 0.73 WEE1 (0.40) TNK2
SCHEMBL15034870 0.73 PAK4 (0.53) TNK2PAK3PAK4LIMK1LIMK2

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed