SCHEMBL3395646

SCHEMBL3395646

COC(=O)c1ccc(Cn2cnc3c(Cl)nc(N)nc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.73
HDAC1 Q13547 9/20 0.73
HDAC4 P56524 5/20 0.73
YTHDC1 Q96MU7 2/20 0.66
HDAC2 Q92769 4/20 0.66
HSP90AB1 P08238 6/20 0.60
HSP90AA1 P07900 5/20 0.60
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
HDAC3 O15379 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
HSP90B1 P14625 1/20 0.52
TRAP1 Q12931 1/20 0.52

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
SCHEMBL19539671 0.91 YTHDC1 (0.63) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL29445697 0.89 YTHDC1 (0.78) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL19539867 0.85 YTHDC1 (0.74) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL29366455 0.83 HSP90AB1 (0.71) HDAC6HDAC1HDAC4HDAC2HSP90AB1
SCHEMBL3389606 0.83 HSP90AB1 (0.71) HDAC6HDAC1HDAC4HDAC2HSP90AB1
SCHEMBL3272660 0.82 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL29051728 0.82 ADORA2A (0.60) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL21076645 0.81 YTHDC1 (0.58) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL12857150 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC4YTHDC1HDAC2
SCHEMBL21977307 0.81 HDAC6 (0.69) HDAC6HDAC1HDAC4HDAC2HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO disclosed
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP disclosed