SCHEMBL4083477

SCHEMBL4083477

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccc3F)c2o1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
IMPDH2 P12268 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
PAK4 O96013 1/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
TACR3 P29371 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL655164 0.89 AURKA (0.42) AURKANPC1RAB9AIMPDH2SMN1; SMN2
SCHEMBL652230 0.88 RXFP1 (0.42) AURKAALDH1A1HPGDLMNAMAPK1
SCHEMBL4088217 0.87 AURKA (0.51) AURKAIMPDH2MAPK1HDAC6
SCHEMBL4093020 0.87 CDC7 (0.44) AURKANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4088609 0.86 AURKA (0.49) AURKANPC1RAB9AIMPDH2SMN1; SMN2
SCHEMBL653933 0.86 MEN1 (0.43) AURKANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4078482 0.86 HPGD (0.46) AURKANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL653327 0.85 AURKA (0.40) AURKALMNAMAPK1TACR3
SCHEMBL4083487 0.85 SMN1; SMN2 (0.41) AURKANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4082950 0.85 AURKA (0.44) AURKANPC1RAB9AIMPDH2SMN1; SMN2

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed