SCHEMBL30721389

SCHEMBL30721389

CNc1ccc2cc(-c3nn(C4CCCCO4)c4c3CCC(C)(C)C4)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 10/20 0.35
▸ RET P07949 4/20 0.34
▸ KDR P35968 2/20 0.34
▸ IDH1 O75874 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ PIP5K1C O60331 2/20 0.30

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
SCHEMBL18812844 1.00 ITK (0.35) ITKRETKDRIDH1MEN1
SCHEMBL29199694 0.96 ITK (0.36) ITKRETKDR
SCHEMBL24670034 0.88 ITK (0.36) ITKRETKDRABL1
SCHEMBL30801249 0.88 ITK (0.36) ITKRETKDRABL1
SCHEMBL24671283 0.84 RET (0.33) ITKRETKDRABL1
SCHEMBL24670121 0.84 RET (0.33) ITKRETKDRABL1
SCHEMBL29990667 0.84 RET (0.33) ITKRETKDRABL1
SCHEMBL29199673 0.83 ITK (0.37) ITKRETKDR
SCHEMBL24671810 0.80 RET (0.33) ITKRETKDR
SCHEMBL30863352 0.79 RET (0.32) ITKRETKDR

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
CN-117916231-A Compounds for inhibiting or degrading target proteins, compositions comprising the same, methods of making and methods of using the same 纽力克斯治疗公司 2024-04-19 — — CN disclosed
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 — — CN disclosed
CN-110845482-B Process for preparing indole compounds 日本烟草产业株式会社 2024-01-19 — — CN disclosed
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