SCHEMBL5840628

SCHEMBL5840628

CCn1cnc2c(C=S)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.45
CCNB1 P14635 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
YTHDC1 Q96MU7 10/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SRC P12931 1/20 0.37
PDE8A O60658 1/20 0.36
P2RY1 P47900 1/20 0.36
NPC1 O15118 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL29444616 0.79 CDK1 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL183244 0.79 CDK1 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL3440998 0.76 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5838973 0.76 ADORA2A (0.40) ADORA2A
SCHEMBL5840099 0.74 CDK1 (0.56) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL17364311 0.74 CDK1 (0.46) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL5840633 0.74 CDK1 (0.50) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL25280903 0.70 TLR7 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL25232611 0.70 YTHDC1 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL17929772 0.69 YTHDC1 (0.63) CDK1YTHDC1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed