SCHEMBL1779566

SCHEMBL1779566

CC(C)(NC(=O)c1cc2c(NC(=O)c3ccccc3NC(=O)c3ccc(CN4CCOCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.59
BCR P11274 2/20 0.59
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
AURKA O14965 5/20 0.49
RAB9A P51151 1/20 0.46
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
HDAC1 Q13547 2/20 0.44
CDK2 P24941 2/20 0.43
FLT3 P36888 2/20 0.43
CCNA1 P78396 1/20 0.43
GALR3 O60755 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 1/20 0.42
ACHE P22303 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 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
SCHEMBL742258 0.95 ABL1 (0.65) ABL1BCRMAPTTSHRAURKA
SCHEMBL1779462 0.94 ABL1 (0.68) ABL1BCRMAPTTSHRAURKA
SCHEMBL1779493 0.93 ABL1 (0.69) ABL1BCRMAPTTSHRAURKA
SCHEMBL3874968 0.89 MAPT (0.54) MAPTTSHRAURKARAB9AHIF1A
SCHEMBL739685 0.88 ABL1 (0.56) ABL1BCRMAPTAURKARAB9A
SCHEMBL742638 0.88 ABL1 (0.74) ABL1BCRMAPTAURKARAB9A
SCHEMBL740623 0.88 ABL1 (0.72) ABL1BCRMAPTAURKARAB9A
SCHEMBL740752 0.87 ABL1 (0.76) ABL1BCRMAPTAURKARAB9A
SCHEMBL739604 0.87 ABL1 (0.66) ABL1BCRAURKAHDAC1FLT3
SCHEMBL741183 0.87 ABL1 (0.76) ABL1BCRMAPTAURKARAB9A

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
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed