SCHEMBL25240746

SCHEMBL25240746

CC(C)C[C@H](N)c1cccc(N2C[C@@H](C)N[C@@H](C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.37
▸ PRKCQ Q04759 3/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PTPN11 Q06124 2/20 0.34
▸ TLR9 Q9NR96 3/20 0.34
▸ TLR8 Q9NR97 3/20 0.34
▸ TLR7 Q9NYK1 3/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AURKA O14965 1/20 0.31

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
SCHEMBL25284225 1.00 GHSR (0.37) GHSRPRKCQPRKCDPIM1TAAR1
SCHEMBL25237637 0.87 IRAK4 (0.39) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL25283215 0.87 IRAK4 (0.39) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL25237145 0.85 PTPN11 (0.38) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL25237071 0.85 PTPN11 (0.38) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL25278655 0.85 HDAC1 (0.35) GHSRPRKCQPRKCDPIM1PTPN11
Hydrochloric Acid SCHEMBL25283147 0.84 PTPN11 (0.37) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL25284925 0.77 HDAC1 (0.35) GHSRPRKCQPIM1HDAC1
SCHEMBL25234344 0.72 PTPN11 (0.38) GHSRPRKCQPRKCDPIM1PTPN11
SCHEMBL18794206 0.71 PRKCQ (0.49) PRKCQPRKCDPIM1TLR9TLR8

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-2023110843-A1 HETEROBICYCLIC DERIVATIVES AS ITK INHIBITORS ALMIRALL, S.A. (ES) 2023-06-22 — — WO disclosed
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