SCHEMBL14530643

SCHEMBL14530643

Cc1ccc(N(C)c2ccc3nc(Nc4cc(C(=O)N5CC[C@@H](NC=O)C5)ccn4)sc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCK P08631 5/20 0.39
BTK Q06187 5/20 0.39
PROKR1 Q8TCW9 6/20 0.37
ITK Q08881 1/20 0.36
SYK P43405 6/20 0.36
CCNK O75909 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CDK12 Q9NYV4 2/20 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
SCHEMBL5312665 0.91 HCK (0.38) HCKBTKPROKR1ITKSYK
SCHEMBL5334096 0.91 HCK (0.38) HCKBTKPROKR1ITKSYK
SCHEMBL5312669 0.91 HCK (0.38) HCKBTKPROKR1ITKSYK
SCHEMBL14531392 0.89 PROKR1 (0.40) HCKBTKPROKR1SYK
SCHEMBL5312309 0.88 PROKR1 (0.39) HCKBTKPROKR1SYK
SCHEMBL5314910 0.88 PROKR1 (0.39) HCKBTKPROKR1SYK
SCHEMBL5310631 0.88 PROKR1 (0.40) HCKBTKPROKR1SYK
SCHEMBL5312760 0.86 PROKR1 (0.37) HCKBTKPROKR1SYK
SCHEMBL5310717 0.86 IKBKB (0.40) PROKR1SYKCCNA2CDK2
SCHEMBL5417532 0.84 CCNT1 (0.43) CDK2

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed