SCHEMBL7980084

SCHEMBL7980084

Cc1cccc(Cl)c1-c1c(NC2CCN(Cc3ccccc3)CC2)ccc2c1nc(N)c1cncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 1/20 0.44
ACHE P22303 3/20 0.41
EZH2 Q15910 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
LCK P06239 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 2/20 0.38
BCHE P06276 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL7983715 0.89 LCK (0.46) LCK
SCHEMBL7981784 0.82 LCK (0.44) LCK
SCHEMBL7983694 0.78 LCK (0.56) LCK
SCHEMBL7983881 0.75 FGFR1 (0.47) LCK
SCHEMBL7969763 0.74 LCK (0.53) LCK
SCHEMBL7982713 0.74 LCK (0.51) LCK
SCHEMBL7983621 0.74 LCK (0.40) LCK
SCHEMBL7983218 0.73 LCK (0.49) LCK
SCHEMBL7987015 0.73 LCK (0.43) LCK
SCHEMBL7981130 0.73 LCK (0.52) LCK

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 3 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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed