SCHEMBL740877

SCHEMBL740877

COc1cccc(CNc2nc(SCc3ccccc3)nc3c2ncn3C2(n3cnc4c(Cl)nc(SCc5ccccc5)nc43)O[C@H](CO)[C@@H](O)[C@H]2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
ADORA3 P0DMS8 5/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
CCNT1 O60563 2/20 0.38
CCNT2 O60583 2/20 0.38
CCNE2 O96020 2/20 0.38
CDK9 P50750 2/20 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
SCHEMBL742471 0.84 CCNE1 (0.45) CCNE1CDK2ADORA3ADORA2ACCNT1
SCHEMBL743586 0.80 ADORA3 (0.60) ADORA3ADORA2AADORA1
SCHEMBL743587 0.80 ADORA3 (0.60) ADORA3ADORA2AADORA1
SCHEMBL8149501 0.70 ADORA3 (0.63) ADORA3ADORA2AADORA1
SCHEMBL773397 0.70 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL743870 0.70 ADORA3 (0.57) ADORA3ADORA2AADORA1
SCHEMBL743869 0.70 ADORA3 (0.57) ADORA3ADORA2AADORA1
SCHEMBL742472 0.69 SMN1; SMN2 (0.48) CDK2
SCHEMBL740871 0.68 ADORA3 (0.64) ADORA3ADORA2AADORA1
SCHEMBL774632 0.68 ADORA3 (0.64) ADORA3ADORA2AADORA1

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-2430036-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-03-21 EP disclosed
WO-2010130233-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-11-18 WO disclosed