SCHEMBL18153237

SCHEMBL18153237

CC(C)c1ncc(-c2ccc3nc4n(c3c2)[C@H](c2ccccc2)CC4)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 11/20 0.39
RIPK1 Q13546 5/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
CLK1 P49759 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
CSNK1G3 Q9Y6M4 2/20 0.33
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL18153218 1.00 TNF (0.39) TNFRIPK1CCNCCDK8CLK1
SCHEMBL18151489 0.86 ATM (0.41) TNF
SCHEMBL29987453 0.85 TNF (0.41) TNFRIPK1CCNCCDK8CLK1
SCHEMBL18151336 0.85 TNF (0.39) TNFRIPK1CCNCCDK8CLK1
SCHEMBL18151456 0.85 TNF (0.41) TNFRIPK1CCNCCDK8CLK1
SCHEMBL18153251 0.85 TNF (0.37) TNFRIPK1CCNCCDK8P2RX7
SCHEMBL18151234 0.83 TNF (0.41) TNF
SCHEMBL18151013 0.83 TNF (0.41) TNF
SCHEMBL18150909 0.83 TNF (0.41) TNF
SCHEMBL18150993 0.83 CYP11B1 (0.41) TNFRIPK1CCNCCDK8CLK1

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
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed