SCHEMBL31536359

SCHEMBL31536359

CN(C(=O)c1cc(Br)cnc1N)c1cccc(C#CC(C)(C)O)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.37
▸ GRM5 P41594 7/20 0.35
▸ HAO1 Q9UJM8 1/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ PAK4 O96013 2/20 0.32
▸ PIKFYVE Q9Y2I7 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TTBK1 Q5TCY1 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
SCHEMBL31536128 0.78 KDR (0.42) EGFRKMT2A
SCHEMBL31536131 0.72 LCK (0.42) MAP3K14KMT2A
SCHEMBL857401 0.69 PIK3C3 (0.48) KMT2A
SCHEMBL31536195 0.69 PRKCI (0.37) KMT2A
SCHEMBL1204465 0.67 KMT2A (0.43) MAP3K14PAK4PIKFYVEKMT2ATTBK1
SCHEMBL31536115 0.66 ATR (0.59) GRM5
SCHEMBL31536084 0.66 PRKCI (0.41) —
SCHEMBL979323 0.66 GRM5 (0.42) MAP3K14GRM5HAO1PAK4PIKFYVE
SCHEMBL31536134 0.65 SORT1 (0.42) GRM5
SCHEMBL1478690 0.65 KMT2A (0.41) KMT2A

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
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
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