SCHEMBL8085104

SCHEMBL8085104

O=C(OC(=O)C(F)(F)F)c1ccc(-c2cccc(Nc3ncccn3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.55
MAPK8 P45983 2/20 0.50
PIK3CG P48736 2/20 0.50
GSK3B P49841 2/20 0.50
CAMKK2 Q96RR4 2/20 0.50
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46

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
Trifluoroacetic Acid SCHEMBL8085100 0.82 SYK (0.71) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL27658519 0.75 PDCD1 (0.50) GSK3BHDAC3HDAC1HDAC2HDAC6
SCHEMBL15569905 0.73 SYK (0.87) SYK
SCHEMBL28762614 0.72 SYK (0.67) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL15570607 0.71 SYK (1.00) SYK
SCHEMBL6300562 0.71 KMO (0.51) HDAC1HDAC2
SCHEMBL19347497 0.70 SYK (1.00) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL19347511 0.70 SYK (1.00) SYK
SCHEMBL28093052 0.70 CES1 (0.38)
SCHEMBL6674350 0.69 GSK3B (0.55) SYKGSK3B

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-6040311-A TREATING BONE DISORDERS FOR PREVENTING OSTEOPOROSIS OR INHIBITING BONE RESORPTION IN A MAMMAL; TREATING TUMOR GROWTH IN A MAMMAL MERCK & CO., INC. (US) 2000-03-21 US disclosed