SCHEMBL13305054

SCHEMBL13305054

CBc1cnn2c(Cl)cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.53
▸ TRPC7 Q9HCX4 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.43
▸ GRIN2B Q13224 5/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ENPP2 Q13822 5/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL13305058 0.88 TRPC3 (0.57) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL13901344 0.86 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL12953546 0.86 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL12953919 0.86 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL14528751 0.83 TRPC3 (0.46) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL12953174 0.81 TRPC3 (0.52) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL12953232 0.79 TRPC3 (0.44) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL13901347 0.79 JAK2 (0.44) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL13305133 0.78 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL13901218 0.77 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 — — EP disclosed
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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