SCHEMBL30410457

SCHEMBL30410457

Fc1nc(NCc2ccco2)c2ncn(C3CCCCCO3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ YTHDC1 Q96MU7 1/20 0.48
▸ FLT3 P36888 4/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CDK1 P06493 4/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CCNB2 O95067 1/20 0.41

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
SCHEMBL30409552 0.99 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL30410701 0.96 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL30411303 0.93 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AYTHDC1HPGD
SCHEMBL20547190 0.88 YTHDC1 (0.64) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL29659519 0.88 YTHDC1 (0.64) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL29659534 0.87 YTHDC1 (0.55) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL20547188 0.87 YTHDC1 (0.55) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL20547610 0.86 NPC1 (0.52) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL29659648 0.86 NPC1 (0.52) SMN1; SMN2NPC1RAB9AYTHDC1FLT3
SCHEMBL30410716 0.86 NPC1 (0.72) SMN1; SMN2NPC1RAB9AYTHDC1FLT3

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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