SCHEMBL13770545

SCHEMBL13770545

CC1C=CC(Cn2cc(C(=O)Nc3c[nH]c(=O)c(-c4cc5cc(N6CCN(C)CC6)ccc5[nH]4)c3)cn2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
AURKA O14965 2/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
CHEK1 O14757 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RPS6KA3 P51812 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL13770383 0.88 RPS6KA2 (0.38) KDRMEN1KMT2ARPS6KA3RPS6KA2
SCHEMBL13769995 0.86 CHEK1 (0.46) GSK3BDYRK1ACHEK1
SCHEMBL949960 0.86 RPS6KA2 (0.42) KDRPDGFRBFGFR1AURKAHPGD
SCHEMBL949062 0.85 HPGD (0.40) KDRPDGFRBFGFR1AURKATTK
SCHEMBL13769772 0.85 CHEK1 (0.40) GSK3BDYRK1ACHEK1RPS6KA3RPS6KA2
SCHEMBL13770146 0.85 CHEK1 (0.47) GSK3BDYRK1ACHEK1
SCHEMBL13769780 0.85 CHEK1 (0.35) CHEK1RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL949495 0.85 HPGD (0.47) AURKAAURKBGSK3BDYRK1ACHEK1
SCHEMBL13770394 0.84 KDR (0.44) KDRPDGFRBAURKAGSK3BDYRK1A
SCHEMBL13770182 0.84 KDR (0.36) KDRPDGFRBAURKACHEK1RPS6KA3

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-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 WO disclosed