SCHEMBL9729774

SCHEMBL9729774

c1cc2cc3ncncc3cc2cn1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.61
CSNK1D P48730 1/20 0.61
CSNK1E P49674 1/20 0.61
DYRK1A Q13627 1/20 0.61
EGFR P00533 9/20 0.49
MKNK2 Q9HBH9 1/20 0.44
HASPIN Q8TF76 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PRKCZ Q05513 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL31124778 0.83 EGFR (0.65) CLK1CSNK1DCSNK1EDYRK1AEGFR
SCHEMBL4985353 0.83 EGFR (0.65) CLK1CSNK1DCSNK1EDYRK1AEGFR
SCHEMBL8874014 0.82 EGFR (0.58) CLK1CSNK1DCSNK1EDYRK1AEGFR
SCHEMBL4036768 0.80 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL445516 0.80 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL88606 0.79 EGFR (0.58) CLK1CSNK1DCSNK1EDYRK1AEGFR
SCHEMBL29409356 0.79 EGFR (0.58) CLK1CSNK1DCSNK1EDYRK1AEGFR
SCHEMBL7235686 0.78 CLK1 (0.54) CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL4750534 0.78 CLK1 (0.54) CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL13156497 0.78 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1AHASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134143-A Dopamine Agonists ELI LILLY AND COMPANY (US) 1992-07-28 US disclosed
US-4977160-A DOPAMINE AGONISTS; PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1990-12-11 US disclosed
US-4826986-A DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP disclosed