SCHEMBL7969559

SCHEMBL7969559

c1ccc2c(c1)nc(Nc1ccc(N3CCCCC3)cc1)c1cncn12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.69
MAPT P10636 1/20 0.69
ATM Q13315 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MKNK1 Q9BUB5 1/20 0.48

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
SCHEMBL7970505 0.90 LCK (0.67) LCKMAPTATMTDP1L3MBTL1
SCHEMBL7983663 0.82 LCK (0.65) LCKMAPTATMTDP1L3MBTL1
SCHEMBL4931040 0.82 LCK (1.00) LCK
SCHEMBL7970323 0.81 LCK (0.67) LCK
SCHEMBL7970845 0.80 LCK (0.80) LCK
SCHEMBL7981428 0.80 LCK (0.80) LCK
SCHEMBL7969645 0.80 LCK (0.84) LCK
SCHEMBL7969769 0.80 LCK (0.84) LCK
SCHEMBL7980236 0.77 LCK (0.74) LCKMAPT
SCHEMBL7981168 0.77 LCK (0.78) LCKMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed