SCHEMBL19633358

SCHEMBL19633358

COC(=O)CCn1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.52
PDE8A O60658 5/20 0.50
CFTR P13569 1/20 0.44
YTHDC1 Q96MU7 2/20 0.44
HPRT1 P00492 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
P2RY1 P47900 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
SCHEMBL19633384 0.93 CDK1 (0.50) CDK1PDE8ACFTRYTHDC1HPRT1
SCHEMBL985545 0.81 ADCY5 (0.63) ADORA2AADORA1ADCY5
SCHEMBL3441081 0.78 CDK1 (0.64) CDK1PDE8AADORA3ADORA2AADORA1
SCHEMBL24476374 0.78 HDAC1 (0.53) YTHDC1HPRT1HDAC1HDAC2HDAC3
SCHEMBL28654978 0.78 HDAC1 (0.53) YTHDC1HPRT1HDAC1HDAC2HDAC3
SCHEMBL10262713 0.78 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL19553686 0.77 CDK1 (0.49) CDK1PDE8ACFTRYTHDC1HDAC1
SCHEMBL2060052 0.77 YTHDC1 (0.57) PDE8AYTHDC1
SCHEMBL19539867 0.76 YTHDC1 (0.74) PDE8AYTHDC1HDAC1HDAC2HDAC3
SCHEMBL14024978 0.76 ADORA2A (0.62) CDK1PDE8AHDAC1HDAC2ADORA2A

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
WO-2017197624-A1 PURINE-SCAFFOLD TLR7 LIGANDS AND CONJUGATE THEREOF SHENZHEN HORNETCORN BIOTECHNOLOGY COMPANY,CO., LTD (CN) 2017-11-23 WO disclosed