SCHEMBL29659588

SCHEMBL29659588

COc1ccc(CNc2nc(N(C)C)nc3c2ncn3C2CCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 7/20 0.60
▸ CCNE1 P24864 7/20 0.60
▸ CDK2 P24941 7/20 0.60
▸ TDP1 Q9NUW8 2/20 0.58
▸ CTSL P07711 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CDK1 P06493 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ MNAT1 P51948 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48

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
SCHEMBL21954487 1.00 CCNE2 (0.60) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL29659506 0.97 CCNE2 (0.61) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL20547513 0.97 CCNE2 (0.61) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL21954485 0.89 NPC1 (0.65) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL29659622 0.89 NPC1 (0.65) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL20547442 0.87 NPC1 (0.58) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL29659500 0.87 NPC1 (0.58) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL20547622 0.87 CCNE2 (0.63) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL30409475 0.87 TDP1 (0.59) CCNE2CCNE1CDK2TDP1CTSL
SCHEMBL20547422 0.87 ADORA3 (0.48) CCNE2CCNE1CDK2TDP1CTSL

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-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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