SCHEMBL23221910

SCHEMBL23221910

C=C(CC)CNC(=O)c1cc(Br)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.56
▸ CREBBP Q92793 1/20 0.55
▸ PKM P14618 4/20 0.52
▸ VIP P01282 1/20 0.43
▸ KCNA6 P17658 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ KCNA4 P22459 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ KMT2A Q03164 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
SCHEMBL23952430 0.72 CREBBP (0.67) DAOCREBBPPKMVIPKCNA6
SCHEMBL23718091 0.72 CREBBP (1.00) DAOCREBBPPKMVIPKCNA6
SCHEMBL7845382 0.71 PKM (0.60) DAOCREBBPPKMVIPKCNA6
SCHEMBL7843475 0.71 CREBBP (0.55) DAOCREBBPPKMVIPKCNA6
SCHEMBL24080898 0.70 CREBBP (0.51) DAOCREBBPPKMVIPKCNA6
SCHEMBL15243719 0.68 KCNA6 (0.51) DAOCREBBPPKMVIPKCNA6
SCHEMBL15228546 0.68 KCNA6 (0.57) DAOCREBBPPKMVIPKCNA6
SCHEMBL15598660 0.67 PKM (0.48) DAOCREBBPPKMVIPKCNA6
SCHEMBL13655571 0.67 PKM (0.51) DAOCREBBPPKMVIPKCNA6
SCHEMBL23330946 0.66 CREBBP (0.53) DAOCREBBPPKMVIPKCNA6

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
EP-3805217-A1 ERK INHIBITOR AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-04-14 — — EP disclosed
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