SCHEMBL9307895

SCHEMBL9307895

c1cc2c(ccc3cncnc32)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.37
EGFR P00533 9/20 0.36
CLK1 P49759 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL11882020 0.81 EGFR (0.37) LMNAEGFRPIK3CDPIK3CA
SCHEMBL346255 0.77 LMNA (0.65) LMNAEGFRPIK3CDPIK3CAKDM4E
SCHEMBL17917476 0.76 IMPDH2 (0.44) LMNAEGFRCLK1CDK5CDK5R1
SCHEMBL30432091 0.76 EGFR (0.47) LMNAEGFRCLK1PIK3CDPIK3CA
SCHEMBL1096307 0.76 EGFR (0.47) LMNAEGFRCLK1PIK3CDPIK3CA
SCHEMBL1900105 0.75 LMNA (0.67) PKMLMNAKDM4EALDH1A1HTT
SCHEMBL18099782 0.74 IMPDH2 (0.43) PKMLMNACLK1CDK5CDK5R1
SCHEMBL18839312 0.74 LMNA (0.38) LMNACLK1CDK5CDK5R1KDM4E
SCHEMBL22045599 0.74 PKM (0.46) PKMLMNACLK1KDM4EHTT
SCHEMBL25850566 0.72 EGFR (0.48) LMNAEGFRCLK1PIK3CDPIK3CA

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-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed