SCHEMBL30411208

SCHEMBL30411208

COc1coc(CNc2nc(F)nc3c2ncn3C2CCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSL P07711 1/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30410836 0.97 YTHDC1 (0.48) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30410487 0.95 TDP1 (0.44) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30410403 0.89 YTHDC1 (0.46) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30410695 0.87 NPC1 (0.48) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30410767 0.86 YTHDC1 (0.49) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30409475 0.85 TDP1 (0.59) TDP1NPC1RAB9ASMN1; SMN2CTSL
SCHEMBL30411081 0.85 NPC1 (0.52) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30409423 0.84 ADORA3 (0.54) TDP1YTHDC1NPC1RAB9ASMN1; SMN2
SCHEMBL30411194 0.84 NPC1 (0.52) TDP1NPC1RAB9ASMN1; SMN2CTSL
SCHEMBL30409376 0.84 NPC1 (0.45) TDP1YTHDC1NPC1RAB9ASMN1; SMN2

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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