SCHEMBL14780745

SCHEMBL14780745

CSc1ncc(Cl)c(C(=O)Cc2c[nH]nc2-c2nc3cc(CN4CCOCC4)ccc3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.43
AURKB Q96GD4 12/20 0.43
FGFR1 P11362 3/20 0.38
FGFR2 P21802 3/20 0.38
FGFR3 P22607 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
PDPK1 O15530 1/20 0.37
CDK1 P06493 7/20 0.37
CCNB1 P14635 7/20 0.37
CDK2 P24941 6/20 0.37
CHEK1 O14757 2/20 0.37
KDR P35968 2/20 0.37
BMPR1B O00238 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37

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
SCHEMBL8302366 0.87 LMNA (0.46) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL13545069 0.82 FGFR1 (0.39) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL13545040 0.77 PDPK1 (0.47) AURKAAURKBHDAC3HDAC1HDAC2
SCHEMBL13446051 0.76 AURKA (0.44) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL12582669 0.76 AURKA (0.44) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL13545065 0.76 PDPK1 (0.43) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL16229463 0.75 PDPK1 (0.41) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL8302379 0.74 L3MBTL1 (0.44) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL11037651 0.73 PARP1 (0.52) AURKAAURKBFGFR1FGFR2FGFR3
SCHEMBL10240122 0.72 PDPK1 (0.48) AURKAAURKBFGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed