SCHEMBL13305223

SCHEMBL13305223

Cc1cnn2c(N)cc(C3CCCN(C(=O)OCc4ccccc4)C3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.44
▸ TRPC7 Q9HCX4 2/20 0.44
▸ BCL9 O00512 5/20 0.44
▸ CTNNB1 P35222 5/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ MAP3K12 Q12852 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CHEK1 O14757 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL13901490 0.90 JAK2 (0.44) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL12953255 0.90 CHEK1 (0.48) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL13305009 0.90 USP30 (0.45) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL14050909 0.86 CHEK1 (0.42) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL13305685 0.85 MAP3K12 (0.43) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL14418821 0.82 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1
SCHEMBL13901233 0.80 JAK2 (0.46) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL13305058 0.79 TRPC3 (0.57) TRPC3TRPC7PDE4BSMN1; SMN2CYP2C19
SCHEMBL13993128 0.79 TRPC3 (0.49) TRPC3TRPC7USP30SMN1; SMN2CYP2C19
SCHEMBL13901487 0.79 TRPC3 (0.49) TRPC3TRPC7JAK2JAK1TYK2

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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