SCHEMBL29659620

SCHEMBL29659620

CNc1nc(NCc2ccco2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FLT3 P36888 2/20 0.47
▸ CCNE1 P24864 5/20 0.46
▸ CDK2 P24941 5/20 0.46
▸ CDK1 P06493 5/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 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
SCHEMBL20547532 1.00 YTHDC1 (0.51) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL20547188 0.97 YTHDC1 (0.55) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL29659534 0.97 YTHDC1 (0.55) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL20547474 0.92 FLT3 (0.49) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL20547610 0.89 NPC1 (0.52) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL29659648 0.89 NPC1 (0.52) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL20547441 0.88 SRC (0.53) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL18587976 0.88 YTHDC1 (0.59) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL30410701 0.88 SMN1; SMN2 (0.50) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL29664960 0.88 YTHDC1 (0.59) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 — — EP claimed
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 — — EP disclosed
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