SCHEMBL27039915

SCHEMBL27039915

Nc1ncc(-c2cc(F)ccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 10/20 0.42
▸ ALOX5AP P20292 8/20 0.42
▸ MAP4K4 O95819 2/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ GRM4 Q14833 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36

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
SCHEMBL20469167 0.78 ASIC3 (0.40) FEN1ALOX5APMAP4K4ASIC3BACE1
SCHEMBL810938 0.78 CCR1 (0.48) LMNAIDO1
SCHEMBL31484870 0.78 CCR1 (0.48) LMNAIDO1
SCHEMBL19072733 0.77 GRM5 (0.41) ASIC3IDO1
SCHEMBL5934924 0.75 ASIC3 (0.59) ASIC3LMNA
SCHEMBL25118560 0.73 IDO1 (0.55) MAP4K4CDK2IDO1
SCHEMBL28731089 0.73 ASIC3 (0.57) ASIC3LMNA
SCHEMBL5739331 0.73 KMO (0.50) FEN1MAP4K4PIK3CDPIK3R1PIK3CA
SCHEMBL2845211 0.72 ASIC3 (0.37) MAP4K4ASIC3IDO1BACE1
SCHEMBL29539379 0.72 PIM1 (0.46) FEN1IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 — — WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 — — WO disclosed
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