SCHEMBL30411235

SCHEMBL30411235

Cc1ccc(CNc2nc(F)nc3c2ncn3C2CCCO2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.53
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ YTHDC1 Q96MU7 1/20 0.46
▸ FLT3 P36888 4/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL30409865 0.97 NPC1 (0.51) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL30411013 0.95 PDE8B (0.49) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL30409376 0.90 NPC1 (0.45) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL18588084 0.89 YTHDC1 (0.61) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL29664987 0.89 YTHDC1 (0.61) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL30411697 0.87 NPC1 (0.49) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL29659492 0.87 NPC1 (0.46) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL20547447 0.87 NPC1 (0.46) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL20547440 0.86 YTHDC1 (0.66) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1
SCHEMBL29659594 0.86 YTHDC1 (0.55) PDE8BNPC1RAB9ASMN1; SMN2YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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