SCHEMBL31201336

SCHEMBL31201336

CCC(CC)Nc1cc(NCCc2ccccn2)c2nnc(C(C)C)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ CYP1A2 P05177 2/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ APP P05067 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL31201194 0.94 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201257 0.90 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201186 0.88 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201176 0.86 CACNA2D1 (0.41) CACNA2D1LMNANPC1RAB9A
SCHEMBL31201357 0.84 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201306 0.83 CDK4 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201418 0.83 GSK3B (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201607 0.83 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201166 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31201230 0.82 CDK1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727944-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-22 — — EP claimed
WO-2024256496-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT PERHA PHARMACEUTICALS (FR) 2024-12-19 — — WO claimed
EP-4477653-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2024-12-18 — — EP claimed
EP-4727944-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-22 — — EP disclosed
WO-2024256496-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT PERHA PHARMACEUTICALS (FR) 2024-12-19 — — WO disclosed
EP-4477653-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2024-12-18 — — EP disclosed
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