SCHEMBL14014941

SCHEMBL14014941

O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(OC(F)(F)F)cc3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.45
GIPR P48546 2/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE2A O00408 2/20 0.40
SCN9A Q15858 2/20 0.40
DDHD2 O94830 1/20 0.40
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
TEAD3 Q99594 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
CNR1 P21554 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL14014928 0.88 GABBR2 (0.42) GABBR2GABBR1KDM4EALDH1A1CAMKK1
SCHEMBL14014496 0.86 KDM4E (0.56) KDM4EALDH1A1PDE2ACAMKK1CAMKK2
SCHEMBL4710750 0.86 KDM4E (0.52) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL14014608 0.86 DHODH (0.44)
SCHEMBL14014888 0.85 CAMKK2 (0.47) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL14014880 0.85 KEAP1 (0.46) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL6211737 0.84 CAMKK2 (0.40) KDM4EALDH1A1CAMKK1CAMKK2CNR1
SCHEMBL14014960 0.83 ALDH1A1 (0.42) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL14014957 0.83 AXL (0.41) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL14014510 0.82 MCL1 (0.43) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed