SCHEMBL30133728

SCHEMBL30133728

COc1cc(C)c(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
NNMT P40261 1/20 0.46
EGFR P00533 5/20 0.40
ERBB2 P04626 5/20 0.40
SRC P12931 6/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
AR P10275 2/20 0.37
CYP2A6 P11509 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
S1PR2 O95136 1/20 0.35
IDH1 O75874 1/20 0.35
GAA P10253 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
SCHEMBL20845910 1.00 RECQL (0.47) RECQLNNMTEGFRERBB2SRC
SCHEMBL18315100 0.85 RECQL (0.43) RECQLNNMTEGFRERBB2SRC
SCHEMBL1007404 0.81 NNMT (0.46) RECQLNNMTEGFRERBB2CYP2A6
SCHEMBL6643224 0.79 MAPK8 (0.41) RECQLNNMTEGFRERBB2SRC
SCHEMBL30905946 0.79 EGFR (0.39) RECQLNNMTEGFRERBB2SRC
SCHEMBL16115557 0.79 SRC (0.38) RECQLNNMTEGFRERBB2SRC
SCHEMBL6188746 0.79 CYP11B1 (0.36) RECQLNNMTEGFRERBB2SRC
SCHEMBL22574637 0.79 EGFR (0.39) RECQLNNMTEGFRERBB2SRC
SCHEMBL1485361 0.79 EGFR (0.42) EGFRERBB2SRCCYP11B1CYP11B2
SCHEMBL16114694 0.77 SRC (0.37) RECQLNNMTEGFRERBB2SRC

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
CN-115605475-B Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司 2025-03-25 CN disclosed
CN-115605475-A Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司(CN) 2023-01-13 CN disclosed