SCHEMBL13845192

SCHEMBL13845192

Nc1cnc(NC[C@H]2CCCNC2)nc1NC1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.44
SYK P43405 8/20 0.41
CHEK1 O14757 4/20 0.41
KDM1A O60341 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CCNT1 O60563 2/20 0.39
AURKB Q96GD4 8/20 0.38
KCNH2 Q12809 3/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL13845154 0.90 PRKCQ (0.46) PRKCQ
SCHEMBL13845160 0.88 KDM1A (0.41) PRKCQCHEK1KDM1ABRD4ATAD2
SCHEMBL13845148 0.82 HRH3 (0.38) BRD4
SCHEMBL13845141 0.76 GBA1 (0.34) PRKCQ
SCHEMBL13845174 0.74 PRKCQ (0.48) PRKCQCHEK1KDM1ABRD4ATAD2
SCHEMBL13845246 0.73 TYRO3 (0.42) PRKCQ
SCHEMBL13608514 0.72 KDM1A (0.38) SYKCHEK1KDM1ABRD4ATAD2
SCHEMBL13608390 0.71 JAK2 (0.43) SYKCHEK1BRD4ATAD2AURKB
SCHEMBL13608437 0.71 JAK2 (0.43) SYKCHEK1BRD4ATAD2AURKB
SCHEMBL13845177 0.69 PRKCQ (0.51) PRKCQCHEK1KDM1ABRD4ATAD2

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-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed