SCHEMBL31037355

SCHEMBL31037355

Nc1ccc(-c2ccncc2)c(C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ BRAF P15056 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ APP P05067 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL31037320 0.86 MAPT (0.47) NAMPTIKBKBCYP1A2CYP2D6CYP2C9
SCHEMBL31037368 0.85 MAPK14 (0.47) NAMPTCD274
SCHEMBL31037307 0.81 NAMPT (0.47) NAMPTIKBKBBRAFGLAL3MBTL1
Benzamide SCHEMBL31037534 0.81 IKBKB (0.42) NAMPTIKBKBCYP1A2CYP2D6CYP2C9
SCHEMBL22837224 0.81 CD274 (0.62) CYP1A2CYP2D6CYP2C9CD274ALDH1A1
SCHEMBL31037461 0.79 MAPK14 (0.43) NAMPTCD274ALDH1A1
SCHEMBL31037481 0.79 NAMPT (0.53) NAMPTBRAF
SCHEMBL31037343 0.79 NAMPT (0.53) NAMPTBRAF
SCHEMBL31037316 0.78 ATR (0.52) NAMPTIKBKBCYP1A2CYP2D6CYP2C9
SCHEMBL18874231 0.77 CD274 (0.59) CYP1A2CYP2D6CYP2C9CD274ALDH1A1

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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