SCHEMBL30281173

SCHEMBL30281173

Cc1cc(C(N)=O)n(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.42
AURKA O14965 2/20 0.42
CSF1R P07333 1/20 0.42
LTK P29376 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 3/20 0.38
APAF1 O14727 1/20 0.37
POLB P06746 1/20 0.37
KCNJ6 P48051 2/20 0.35
KCNJ3 P48549 2/20 0.35
CDK1 P06493 1/20 0.35
AURKB Q96GD4 1/20 0.35
KCNJ5 P48544 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 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
SCHEMBL3670839 0.83 ALDH1A1 (0.44) LMNAAPAF1POLBKCNJ6KCNJ3
SCHEMBL9793957 0.81 KCNJ6 (0.38) LMNAAPAF1POLBKCNJ6KCNJ3
Hydrochloric Acid SCHEMBL9793971 0.81 ALDH1A1 (0.42) LMNAAPAF1POLBKCNJ6KCNJ3
SCHEMBL24799293 0.80 BRD4 (0.53) LMNAALDH1A1HPGD
SCHEMBL29221245 0.80 RET (0.37) RETAURKACSF1RLTKCSNK1A1
SCHEMBL15357765 0.79 BRD4 (0.48) KCNJ6KCNJ3KCNJ5MAPTALDH1A1
SCHEMBL12879029 0.79 ALDH1A1 (0.40) LMNAPOLBKCNJ6KCNJ3KCNJ5
SCHEMBL23469277 0.77 LMNA (0.34) LMNAAPAF1POLBKCNJ6KCNJ3
SCHEMBL15472485 0.77 RET (0.49) RETAURKACSF1RLTKCSNK1A1
SCHEMBL28976929 0.77 RET (0.41) RETAURKACDK1AURKB

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed