SCHEMBL2433100

SCHEMBL2433100

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CN4CCOCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
HIF1A Q16665 3/20 0.47
EPAS1 Q99814 3/20 0.47
AURKA O14965 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
ACKR3 P25106 1/20 0.42
HDAC1 Q13547 1/20 0.42
FLT3 P36888 2/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KIT P10721 1/20 0.42
MAPT P10636 3/20 0.42
GALR3 O60755 1/20 0.42

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
SCHEMBL2437177 0.93 RAB9A (0.49) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2431020 0.93 ABL1 (0.60) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2431903 0.93 ABL1 (0.58) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2439137 0.92 ABL1 (0.61) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2433994 0.92 ABL1 (0.61) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2439030 0.92 RAB9A (0.46) ABL1BCRHIF1AEPAS1SMN1; SMN2
SCHEMBL2434843 0.90 ABL1 (0.43) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL742258 0.89 ABL1 (0.65) ABL1BCRHIF1AEPAS1AURKA
SCHEMBL2435084 0.86 ABL1 (0.53) ABL1BCRSMN1; SMN2ACKR3ALDH1A1
SCHEMBL2434312 0.85 ABL1 (0.51) ABL1BCRHIF1AEPAS1AURKA

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-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP claimed