SCHEMBL742471

SCHEMBL742471

COc1cccc(CNc2nc(SCc3ccccc3)nc3c2ncn3-n2cnc3c(Cl)nc(SCc4ccccc4)nc32)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.45
CDK2 P24941 5/20 0.45
CCNT1 O60563 2/20 0.43
CCNT2 O60583 2/20 0.43
CCNE2 O96020 2/20 0.43
CDK9 P50750 2/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
PTBP1 P26599 1/20 0.43
PKM P14618 3/20 0.41
CDK1 P06493 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL740877 0.84 CCNE1 (0.39) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL743587 0.79 ADORA3 (0.60) TSHRADORA2AADORA3NFKB1TP53
SCHEMBL743586 0.79 ADORA3 (0.60) TSHRADORA2AADORA3NFKB1TP53
SCHEMBL742472 0.78 SMN1; SMN2 (0.48) CDK2MAPTHTTALDH1A1MEN1
SCHEMBL786075 0.76 YTHDC1 (0.62) CCNE1CDK2MAPTHTTMEN1
SCHEMBL774658 0.75 SMN1; SMN2 (0.53) CDK2MAPTHTTALDH1A1MEN1
SCHEMBL786909 0.73 CCNE1 (0.61) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15117694 0.72 FLT3 (0.59) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL15117550 0.72 CDK2 (0.51) CCNE1CDK2CCNT1CCNT2CCNE2
SCHEMBL786378 0.71 YTHDC1 (0.57) CCNE1CDK2CCNT1CCNT2CCNE2

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