SCHEMBL31037263

SCHEMBL31037263

O=C(NCCc1cccnc1)Nc1ccc(-c2cccc(N3CCOCC3)c2)c(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.48
▸ ALK Q9UM73 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ PLOD2 O00469 1/20 0.40
▸ PLOD3 O60568 1/20 0.40
▸ PLOD1 Q02809 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL31037336 0.86 NAMPT (0.42) NAMPTALKHDAC6HTR1ADRD2
SCHEMBL31037302 0.83 NAMPT (0.51) NAMPTLMNAROCK2
SCHEMBL31037296 0.81 ALK (0.41) NAMPTALKHDAC6DRD2LMNA
SCHEMBL31037327 0.81 PRMT3 (0.55) NAMPTLMNAROCK2
SCHEMBL31037468 0.80 LMNA (0.44) NAMPTLMNAROCK2
SCHEMBL31037266 0.78 NAMPT (0.46) NAMPTLMNA
SCHEMBL31037254 0.78 NAMPT (0.46) NAMPTALKLMNA
SCHEMBL31037293 0.78 LMNA (0.48) NAMPTLMNA
SCHEMBL31037286 0.78 LMNA (0.48) NAMPTLMNA
SCHEMBL31037281 0.76 ROCK2 (0.48) NAMPTRPS6KA3LMNAROCK2

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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