SCHEMBL7469348

SCHEMBL7469348

CC(=O)OSc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
POLB P06746 2/20 0.50
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
FGFR3 P22607 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48

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
SCHEMBL7469361 0.83 KMT2A (0.44) KMT2APOLBPLK4CHEK1AURKA
SCHEMBL7595761 0.79 KMT2A (0.51) KMT2APOLBPLK4CHEK1AURKA
SCHEMBL9303751 0.79 ITGB3 (0.62) KMT2APOLBMEN1PLAUF2
SCHEMBL7376887 0.78 KMT2A (0.51) KMT2APOLBALDH1A1MEN1NPC1
SCHEMBL9303041 0.77 PLAU (0.61) KMT2APLK4CHEK1AURKACHUK
SCHEMBL9304281 0.76 PLAU (0.61) KMT2APOLBPLAUF2PLG
SCHEMBL7377695 0.76 ITGB3 (0.49) KMT2APOLBPLK4CHEK1AURKA
SCHEMBL7505498 0.75 KMT2A (0.57) KMT2APOLBPLK4CHEK1AURKA
SCHEMBL7505503 0.75 KMT2A (0.57) KMT2APOLBPLK4CHEK1AURKA
SCHEMBL6930688 0.75 KMT2A (0.62) KMT2APOLBALDH1A1MEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed