SCHEMBL38662467

SCHEMBL38662467

c1cc2ccc(-c3ccc(N4CCNCC4)nc3)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.61
KCNH2 Q12809 4/20 0.53
CHRNA7 P36544 3/20 0.53
GPR119 Q8TDV5 1/20 0.51
TLR9 Q9NR96 4/20 0.49
TLR8 Q9NR97 4/20 0.49
TLR7 Q9NYK1 4/20 0.49
CACNA1C Q13936 1/20 0.47
ASIC3 Q9UHC3 1/20 0.47
IL2 P60568 1/20 0.45
MAP4K1 Q92918 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
NTRK1 P04629 3/20 0.44
METAP2 P50579 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL30376196 0.83 MAP3K11 (0.66) MAP3K11KCNH2GPR119TLR9TLR8
Hydrochloric Acid SCHEMBL30313452 0.82 MAP3K11 (0.65) MAP3K11KCNH2GPR119TLR9TLR8
SCHEMBL15758663 0.81 MAP3K11 (0.64) MAP3K11KCNH2CHRNA7GPR119TLR9
SCHEMBL15551926 0.80 PDE10A (0.51) MAP3K11KCNH2GPR119TLR9TLR8
SCHEMBL15244966 0.80 KCNH2 (0.56) MAP3K11KCNH2GPR119TLR9TLR8
SCHEMBL15244897 0.80 KCNH2 (0.56) MAP3K11KCNH2GPR119TLR9TLR8
SCHEMBL3958927 0.79 MAP3K11 (0.52) MAP3K11HTR3EHTR3BHTR3AHTR3D
SCHEMBL8138939 0.78 ZAP70 (0.64) MAP3K11TBK1
SCHEMBL31694586 0.77 IKBKE (0.49) MAP3K11KCNH2GPR119TLR9TLR8
SCHEMBL723387 0.77 MAP3K11 (1.00) MAP3K11KCNH2IL2MAP4K1NTRK1

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
WO-2026099526-A1 COMBINATION OF INHIBITORS OF IL-1BETA, CCR5 OR CXCR2 CYTOKINE RECEPTORS FOR USE IN THE TREATMENT OF METASTASIS FUNDACIÓN PARA LA INVESTIGACIÓN DEL HOSPITAL UNIVERSITARIO LA FE DE LA COMUNIDAD VALENCIANA (ES) 2026-05-15 WO claimed
WO-2026099526-A1 COMBINATION OF INHIBITORS OF IL-1BETA, CCR5 OR CXCR2 CYTOKINE RECEPTORS FOR USE IN THE TREATMENT OF METASTASIS FUNDACIÓN PARA LA INVESTIGACIÓN DEL HOSPITAL UNIVERSITARIO LA FE DE LA COMUNIDAD VALENCIANA (ES) 2026-05-15 WO disclosed