SCHEMBL3690759

SCHEMBL3690759

Cc1cc(C)n2ncc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.54
GAA P10253 1/20 0.54
CNR1 P21554 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CACNA1B Q00975 3/20 0.47
RUVBL1 Q9Y265 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL309231 0.90 SPR (0.51) SPRGAACNR1LMNAKDM4E
SCHEMBL1429534 0.75 L3MBTL1 (0.66) GAACNR1LMNASMN1; SMN2KDM4E
SCHEMBL18711333 0.74 LMNA (0.69) GAACNR1LMNASMN1; SMN2KDM4E
SCHEMBL9926689 0.74 HPGD (0.70) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL1945062 0.74 L3MBTL1 (0.80) GAACNR1LMNASMN1; SMN2KDM4E
SCHEMBL15100910 0.73 LMNA (0.74) GAACNR1LMNASMN1; SMN2KDM4E
SCHEMBL9926696 0.73 KDM4E (0.65) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL4203652 0.73 HPGD (0.72) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL9926550 0.73 MAPT (0.64) LMNASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL18701978 0.72 LMNA (0.66) GAACNR1LMNASMN1; SMN2KDM4E

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-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP claimed
EP-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed