SCHEMBL14014643

SCHEMBL14014643

FC(F)(F)Oc1ccc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
TNK2 Q07912 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
GCGR P47871 5/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
BTK Q06187 1/20 0.34
PLAT P00750 3/20 0.33
GIPR P48546 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 3/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL14014550 0.94 TNK2 (0.41) GABBR2GABBR1TNK2BTKPLAT
SCHEMBL14014641 0.91 GABBR2 (0.37) GABBR2GABBR1PLATNPC1RAB9A
SCHEMBL14541774 0.90 NPC1 (0.33) BTKNPC1RAB9AKMT2A
SCHEMBL14014652 0.89 LCK (0.39) TNK2BTKNPC1RAB9AKMT2A
SCHEMBL14014541 0.88 PLAT (0.43) TNK2BTKPLAT
SCHEMBL14014558 0.87 TNK2 (0.41) TNK2ABL1BTKPLATSCN9A
SCHEMBL14014616 0.86 JAK1 (0.40) GABBR2GABBR1GCGRPLAT
SCHEMBL14014697 0.86 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL14014671 0.85 BTK (0.33) BTKNPC1RAB9AKMT2ASCN9A
SCHEMBL14542071 0.84 ACVR1 (0.36) NPC1RAB9AKMT2A

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 4 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
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