SCHEMBL7979815

SCHEMBL7979815

O=C(O)c1ccc2c(c1)nc(Cl)c1cncn12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.47
BTK Q06187 1/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.42
HCAR3 P49019 4/20 0.42
FGFR1 P11362 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CDH1 P12830 1/20 0.40
APC P25054 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29893558 0.84 LCK (0.53) LCKBTKCSNK2A2CSNK2BCSNK2A1
SCHEMBL7979858 0.84 LCK (0.53) LCKBTKCSNK2A2CSNK2BCSNK2A1
SCHEMBL7987206 0.75 LCK (0.65) LCK
SCHEMBL29893312 0.75 RXRA (0.38) LCKCSNK2A2CSNK2BCSNK2A1HSD17B10
SCHEMBL7983772 0.75 LCK (0.84) LCK
SCHEMBL29892899 0.74 KDM4E (0.43) LCKCSNK2A2CSNK2BHSD17B10HCAR3
SCHEMBL31136680 0.74 LCK (0.63) LCKBTKCSNK2A2CSNK2BCSNK2A1
SCHEMBL31040881 0.72 FGFR1 (0.42) LCKBTKCSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL31137004 0.71 FGFR1 (0.41) LCKBTKCSNK2A2CSNK2BCSNK2A1
SCHEMBL10643646 0.70 TDP1 (0.67) HTTSMN1; SMN2L3MBTL1CDH1APC

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