SCHEMBL4661671

SCHEMBL4661671

O=CC(Br)c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.51
PRKCD Q05655 2/20 0.51
CDK2 P24941 2/20 0.51
CHEK1 O14757 1/20 0.51
IKBKB O14920 1/20 0.51
NPC1 O15118 1/20 0.51
PDPK1 O15530 1/20 0.51
CHEK2 O96017 1/20 0.51
PRKCG P05129 1/20 0.51
CDK1 P06493 1/20 0.51
LYN P07948 1/20 0.51
MAPT P10636 1/20 0.51
KIT P10721 1/20 0.51
PIM1 P11309 1/20 0.51
FGFR1 P11362 1/20 0.51
FGFR3 P22607 1/20 0.51
RPS6KB1 P23443 1/20 0.51
MARK3 P27448 1/20 0.51
MAPK1 P28482 1/20 0.51
EPHA2 P29317 1/20 0.51

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
SCHEMBL27759252 0.73 AURKA (0.51) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL4117207 0.73 AURKA (0.59) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL4490400 0.73 AURKA (0.54) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL15228928 0.71 CDK4 (0.46) AURKACDK2PDPK1CDK1LYN
SCHEMBL7015142 0.71 AURKA (0.65) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL3651852 0.69 POLB (0.41) AURKACDK2NPC1MAPTRAB9A
SCHEMBL1960482 0.69 MAPK9 (0.35) MAPK10
SCHEMBL440486 0.69 AURKA (1.00) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL7775628 0.68 AURKA (0.77) AURKAPRKCDCDK2CHEK1IKBKB
SCHEMBL13755324 0.68 AURKA (0.51) AURKAPRKCDCDK2CHEK1IKBKB

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
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO disclosed