SCHEMBL30420116

SCHEMBL30420116

Cc1c(C(N)=O)cnn1C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
JAK1 P23458 12/20 0.42
JAK3 P52333 11/20 0.42
JAK2 O60674 5/20 0.42
TYK2 P29597 3/20 0.42
PDE4B Q07343 1/20 0.42
LRRK2 Q5S007 2/20 0.39
PDE9A O76083 1/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39

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
SCHEMBL22684184 0.87 TRPV4 (0.46) TRPV4LRRK2PDE9APDE1APDE1B
SCHEMBL1717322 0.84 JAK1 (0.41) JAK1JAK3JAK2TYK2PDE4B
SCHEMBL26927830 0.82 PLAT (0.44) JAK1JAK3TYK2
SCHEMBL2999570 0.77 PDE9A (0.38) TRPV4JAK1JAK3JAK2TYK2
SCHEMBL5021081 0.76 LRRK2 (0.43) LRRK2PDE9APDE1APDE1BPDE1C
SCHEMBL17102310 0.76 LRRK2 (0.43) TRPV4LRRK2PDE9APDE1APDE1B
SCHEMBL22363264 0.76 LRRK2 (0.44) LRRK2PDE9APDE1APDE1BPDE1C
SCHEMBL19434450 0.76 PDE4B (0.39) JAK1JAK3JAK2TYK2PDE4B
SCHEMBL19434460 0.76 PDE4B (0.41) JAK1JAK3JAK2TYK2PDE4B
SCHEMBL7883835 0.75 TYK2 (0.41) JAK1JAK3JAK2TYK2PDE4B

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
CN-116209664-A Small molecule modulators of IL-17 利奥制药有限公司 2023-06-02 CN disclosed