SCHEMBL6832429

SCHEMBL6832429

Nc1ccc(-c2cnc(N)nc2-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.61
ADORA2A P29274 10/20 0.61
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PTK2 Q05397 1/20 0.50
GFER P55789 1/20 0.46

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
SCHEMBL28118705 0.91 ADORA1 (0.74) ADORA1ADORA2AKMT2AHSP90AA1HSP90AB1
SCHEMBL6831577 0.85 MEN1 (0.59) ADORA1ADORA2AHSP90AA1HSP90AB1PTK2
SCHEMBL14796725 0.81 ABL1 (0.47) ADORA1ADORA2AHSP90AA1HSP90AB1PTK2
SCHEMBL30269692 0.81 ABL1 (0.47) ADORA1ADORA2AHSP90AA1HSP90AB1PTK2
SCHEMBL6832217 0.81 ADORA1 (0.53) ADORA1ADORA2AKMT2AHSP90AA1HSP90AB1
SCHEMBL7466847 0.81 ADORA1 (0.50) ADORA1ADORA2AKMT2AHSP90AA1HSP90AB1
SCHEMBL2492563 0.79 HSP90AA1 (0.57) ADORA1ADORA2AHSP90AA1HSP90AB1PTK2
SCHEMBL4582424 0.77 ADORA1 (0.83) ADORA1ADORA2AKMT2AGFER
SCHEMBL23336394 0.76 HSP90AA1 (0.54) ADORA1ADORA2AHSP90AA1HSP90AB1PTK2
SCHEMBL5453984 0.76 ADORA1 (1.00) ADORA1ADORA2AKMT2AGFER

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-2004099187-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM. CO. LTD. (KR) 2004-11-18 WO disclosed