SCHEMBL30410705

SCHEMBL30410705

Cc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CDK1 P06493 2/20 0.44
▸ CTSL P07711 6/20 0.43
▸ YTHDC1 Q96MU7 1/20 0.43
▸ CCNE2 O96020 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42

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
SCHEMBL30410361 0.95 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410510 0.94 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TDP1CDK1
SCHEMBL30411079 0.92 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30411049 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410654 0.90 CTSL (0.54) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410990 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410355 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410752 0.90 ADORA3 (0.52) NPC1RAB9ASMN1; SMN2TDP1ADORA3
SCHEMBL30410406 0.89 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30411086 0.89 TDP1 (0.60) NPC1RAB9ASMN1; SMN2TDP1CDK1

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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