SCHEMBL24359797

SCHEMBL24359797

Clc1ccc2nc(C3CCCCN3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP1A2 P05177 2/20 0.43
CDC7 O00311 1/20 0.43
CIT O14578 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
SOS1 Q07889 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28685463 0.85 CYP1A2 (0.49) PSMB8CYP1A2CDC7CITPIM1
SCHEMBL374150 0.76 SOS1 (0.51) PSMB8PSMB5PIK3CGSOS1ALDH1A1
SCHEMBL12649101 0.76 CHRNB2 (0.54) CYP1A2LMNANR1H4CHRNB2CHRNA4
SCHEMBL28901281 0.76 CHRNB2 (0.54) CYP1A2LMNANR1H4CHRNB2CHRNA4
SCHEMBL28901276 0.76 CHRNB2 (0.54) CYP1A2LMNANR1H4CHRNB2CHRNA4
SCHEMBL10117351 0.72 CHRNB2 (0.37) CYP1A2NR1H4CHRNB2CHRNA4CYP2D6
SCHEMBL38656052 0.72 GPR119 (0.41) PIK3CGPIM1ALDH1A1MEN1KMT2A
SCHEMBL38657073 0.72 GPR119 (0.41) PIK3CGPIM1ALDH1A1MEN1KMT2A
SCHEMBL28686943 0.71 MPO (0.60) CYP1A2CDC7CITPIM1CSNK2A2
SCHEMBL15944074 0.71 PIK3CG (0.42) PSMB8PSMB5PIK3CGSOS1ALDH1A1

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
WO-2022084448-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-04-28 WO disclosed