SCHEMBL20783137

SCHEMBL20783137

C=C1C=C(c2ccnc3[nH]c(C)cc23)C=C(c2ccccc2Cl)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
IKBKB O14920 8/20 0.38
CHUK O15111 8/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
ROCK1 Q13464 1/20 0.34
AURKB Q96GD4 1/20 0.34
AURKAIP1 Q9NWT8 1/20 0.34
MAP3K5 Q99683 1/20 0.33
CIT O14578 2/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL24445796 0.82 CCNK (0.38) CCNKCDK12IKBKBCHUKPIK3C3
SCHEMBL20782954 0.82 NPY5R (0.43) CCNKCDK12PIK3C3CCNT1CDK9
SCHEMBL20783060 0.80 PIK3C3 (0.53) CCNKCDK12IKBKBCHUKPIK3C3
SCHEMBL20782950 0.74
SCHEMBL20782949 0.74 PTGDR2 (0.35) PIK3C3CCNT1CDK9
SCHEMBL20782506 0.72 EGFR (0.40) PIK3C3
SCHEMBL20783141 0.70 PIK3C3 (0.54) CCNKCDK12IKBKBCHUKPIK3C3
SCHEMBL20776120 0.70 JAK2 (0.46) IKBKBCHUKLRRK2
SCHEMBL20782372 0.69 PIK3C3 (0.44) PIK3C3AURKB
SCHEMBL20765177 0.69 PIK3C3 (0.67) CCNKCDK12IKBKBCHUKPIK3C3

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-2019038384-A1 AZAINDOLYLPYRIDONE AND DIAZAINDOLYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2019-02-28 WO disclosed