SCHEMBL16309201

SCHEMBL16309201

CN1CCC(Oc2ccc(Nc3ncc4cc(-c5cc(S(=O)(=O)c6ccccc6)cs5)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.44
TNK2 Q07912 6/20 0.41
SRC P12931 1/20 0.41
RIPK2 O43353 2/20 0.40
ACVR1 Q04771 2/20 0.40
NOD2 Q9HC29 2/20 0.40
AXL P30530 4/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 1/20 0.39
WEE1 P30291 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL15281139 0.92 TNK2 (0.44) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15036142 0.88 CAMK2D (0.43) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL13553920 0.79 CAMK2D (0.43) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15041481 0.78 CAMK2D (0.43) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL14681967 0.78 PAK3 (0.45) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15785313 0.76 FGFR1 (0.46) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL14682044 0.76 CAMK2D (0.42) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15041898 0.75 RIPK2 (0.41) CAMK2DTNK2RIPK2ACVR1NOD2
SCHEMBL15036004 0.74 CDK4 (0.38) RIPK2ACVR1NOD2FGFR1FGFR2
SCHEMBL15041484 0.74 FGFR1 (0.44) CAMK2DTNK2SRCRIPK2ACVR1

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 2 patents. 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
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