SCHEMBL30410547

SCHEMBL30410547

CC(CO)CC(C)Nc1ncnc2c1ncn2C1CCCO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ PI4KA P42356 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ YTHDC1 Q96MU7 1/20 0.44

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
SCHEMBL30411176 0.97 CYP2C19 (0.56) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL30410795 0.96 CYP2C19 (0.55) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL30411685 0.95 NPC1 (0.47) CYP2C19TP53NFKB1ALDH1A1NPC1
SCHEMBL2002588 0.81 NPC1 (0.61) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL29664967 0.80 TP53 (0.57) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL20533736 0.80 TP53 (0.57) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL12894740 0.76 CYP2C19 (0.57) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL9884054 0.76 CYP2C19 (0.57) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL18588088 0.76 NPC1 (0.54) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL21029515 0.76 NPC1 (0.64) CYP2C19TP53CYP2C9NFKB1MAPK1

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-4178959-B1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIV PALACKEHO (CZ) 2025-09-10 — — EP disclosed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 — — EP disclosed
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