SCHEMBL13305170

SCHEMBL13305170

Bc1cnn2c(NCc3ccc(-c4ncon4)cc3)cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.43
▸ TRPC7 Q9HCX4 2/20 0.43
▸ CHEK1 O14757 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ GRIN2B Q13224 7/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ ENPP2 Q13822 3/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL12953678 0.92 GSK3B (0.48) TRPC3TRPC7CHEK1CCNA2CDK2
SCHEMBL14043203 0.88 TRPC3 (0.44) TRPC3TRPC7CHEK1CCNA2CDK2
SCHEMBL13304833 0.84 CA2 (0.52) TRPC3TRPC7USP30GRIN2BENPP2
SCHEMBL13305198 0.83 GSK3B (0.56) TRPC3TRPC7CHEK1CDK2GRIN2B
SCHEMBL13304620 0.81 GSK3B (0.50) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL13305093 0.80 TRPC3 (0.41) TRPC3TRPC7CHEK1CCNA2CDK2
SCHEMBL12953650 0.79 GSK3B (0.54) TRPC3TRPC7CDK2USP30GRIN2B
SCHEMBL12954207 0.77 GSK3B (0.51) TRPC3TRPC7CHEK1CCNA2CDK2
SCHEMBL13304793 0.77 MAPK1 (0.41) CHEK1CCNA2CDK2CCNA1USP30
SCHEMBL13305133 0.77 TRPC3 (0.53) TRPC3TRPC7USP30GRIN2BCYP2D6

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
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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