SCHEMBL2437177

SCHEMBL2437177

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CN4CCOCC4)cc3)n[nH]c2s1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
HIF1A Q16665 4/20 0.43
EPAS1 Q99814 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
AURKA O14965 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK2 P24941 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2433100 0.93 ABL1 (0.52) RAB9ANPC1ABL1BCRHIF1A
SCHEMBL2439030 0.93 RAB9A (0.46) RAB9ANPC1ABL1BCRHIF1A
SCHEMBL2435084 0.93 ABL1 (0.53) ABL1BCRSMN1; SMN2ALDH1A1ENPP2
SCHEMBL2432693 0.89 LRRK2 (0.46) ABL1BCRLMNAAURKAAURKB
SCHEMBL2434843 0.89 ABL1 (0.43) RAB9ANPC1ABL1BCRHIF1A
SCHEMBL739685 0.89 ABL1 (0.56) RAB9ANPC1ABL1BCRHIF1A
SCHEMBL2431020 0.86 ABL1 (0.60) RAB9AABL1BCRHIF1AEPAS1
SCHEMBL2431903 0.86 ABL1 (0.58) RAB9AABL1BCRHIF1AEPAS1
SCHEMBL2434312 0.86 ABL1 (0.51) RAB9ANPC1ABL1BCRHIF1A
SCHEMBL2433994 0.86 ABL1 (0.61) RAB9AABL1BCRHIF1AEPAS1

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