SCHEMBL31037256

SCHEMBL31037256

O=C(NCCn1ccnc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NAMPT P43490 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ QPCT Q16769 4/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL31744309 0.82 NAMPT (0.41) NAMPTALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL31037302 0.80 NAMPT (0.51) NAMPTL3MBTL1MAPTLMNANPC1
SCHEMBL31037371 0.79 NAMPT (0.48) NAMPTCYP3A4CYP2D6MAPTNPC1
SCHEMBL31744290 0.79 NAMPT (0.45) NAMPTCYP3A4
SCHEMBL31037522 0.78 NAMPT (0.49) NAMPTMAPTNPC1KDM4E
SCHEMBL31037311 0.77 NAMPT (0.48) NAMPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31037330 0.77 NAMPT (0.77) NAMPTKMT2A
SCHEMBL31037292 0.75 NAMPT (0.45) NAMPTALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL31744303 0.74 F3 (0.49) NAMPT
SCHEMBL10831990 0.73 CYP1A2 (0.77) ALOX15HSD17B10ALDH1A1L3MBTL1QPCT

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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