SCHEMBL30411697

SCHEMBL30411697

COc1ccc(CNc2nc(F)nc3c2ncn3C2CCCCO2)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ YTHDC1 Q96MU7 1/20 0.48
▸ FLT3 P36888 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ PDE8B O95263 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL30409376 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30410760 0.95 TDP1 (0.42) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30409865 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30411235 0.87 PDE8B (0.53) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30411013 0.84 PDE8B (0.49) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30410836 0.84 YTHDC1 (0.48) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30410714 0.84 TDP1 (0.61) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30410595 0.83 TDP1 (0.62) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30410677 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2YTHDC1FLT3
SCHEMBL30411081 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2YTHDC1FLT3

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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