SCHEMBL30265966

SCHEMBL30265966

Cc1cc2c(C#N)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CYP1A2 P05177 1/20 0.46
NQO2 P16083 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
DYRK1A Q13627 3/20 0.41
CLK1 P49759 2/20 0.41
TSHR P16473 1/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GALR3 O60755 1/20 0.38
HPGD P15428 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL5729594 1.00 GAA (0.46) GAARXFP1CYP1A2NQO2PRKCQ
SCHEMBL18000148 0.81 GAA (0.46) GAARXFP1CYP1A2NQO2ALDH1A1
SCHEMBL15829328 0.81 NR3C1 (0.39) GAACYP1A2DYRK1ACLK1TSHR
SCHEMBL24453539 0.79 NR3C1 (0.45) CYP1A2DYRK1ACLK1TSHRIMPDH2
SCHEMBL28813546 0.78 DYRK1A (0.41) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL12778104 0.78 DYRK1A (0.41) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL16380972 0.77 DYRK1A (0.39) GAADYRK1ACLK1TSHRIMPDH2
SCHEMBL24037986 0.76 MAOA (0.40) GAARXFP1CYP1A2NQO2PRKCQ
SCHEMBL2430502 0.75 MAOA (0.47) GAARXFP1CYP1A2NQO2PRKCQ
SCHEMBL12803649 0.75 KEAP1 (0.44) GAARXFP1CYP1A2NQO2PRKCQ

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025074096-A1 P97 (VCP) ATPASE INHIBITORS Turbine Simulated Cell Technologies Ltd (GB) 2025-04-10 WO disclosed
WO-2025014963-A1 INHIBITORS OF P97 PROTEIN AND METHODS OF USE GANDEEVA THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
WO-2023012153-A1 VALOSIN-CONTAINING PROTEIN (VCP/P97) INHIBITORS PHOREMOST LIMITED (GB) 2023-02-09 WO disclosed