SCHEMBL7204767

SCHEMBL7204767

O=c1cc(NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1-c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.56
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
SSTR5 P35346 1/20 0.46
KCNH2 Q12809 2/20 0.45
MCHR1 Q99705 2/20 0.45
EHMT2 Q96KQ7 2/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
EZH2 Q15910 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CCR2 P41597 1/20 0.43
GAA P10253 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL7203775 0.84 JAK1 (0.49) JAK1KCNH2AURKAOPRM1OPRK1
SCHEMBL7199711 0.79 JAK1 (0.52) JAK1AURKA
SCHEMBL4309421 0.75 CNR1 (0.58) JAK1MAPTKCNH2MCHR1ROCK2
SCHEMBL7206567 0.75 ACP1 (0.52) TSHRKDM4EGAAAURKA
SCHEMBL3748349 0.74 KCNH2 (0.63) JAK1LMNAMAPTHTTKMT2A
SCHEMBL7202162 0.73 AURKA (0.45) AURKA
SCHEMBL7201841 0.73 AURKA (0.43) MAPTHTTNPSR1TSHRCASP1
SCHEMBL7203420 0.73 ALDH1A1 (0.48) MAPTHTTKMT2ATSHRKDM4E
SCHEMBL8096295 0.72 LMNA (0.58) LMNAMAPTHTTKMT2ANPSR1
SCHEMBL7200373 0.72 ACP1 (0.55) LMNAMAPTHTTKMT2ANPSR1

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-6605617-B2 Treating a patient in need of an inhibitor of vascular endothelial growth factor receptor tyrosine kinase CHIRON CORPORATION 2003-08-12 US disclosed