SCHEMBL932669

SCHEMBL932669

CCCCOC(=O)N1CCCC1c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
NTRK1 P04629 14/20 0.43
JAK2 O60674 8/20 0.43
GCK P35557 1/20 0.42
HCRTR2 O43614 2/20 0.42
AGTR2 P50052 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
SCHEMBL29747664 0.85 GCK (0.40) RIPK1GCK
SCHEMBL17848871 0.81 SCN9A (0.42) RIPK1NTRK1JAK2HCRTR2
SCHEMBL29525364 0.80 NTRK1 (0.50) RIPK1NTRK1JAK2
SCHEMBL30148073 0.80 NTRK1 (0.50) RIPK1NTRK1JAK2
SCHEMBL932475 0.80 NTRK1 (0.50) RIPK1NTRK1JAK2
SCHEMBL932474 0.80 NTRK1 (0.50) RIPK1NTRK1JAK2
SCHEMBL29891866 0.78 HTR2A (0.39)
SCHEMBL932557 0.78 NTRK1 (0.44) RIPK1NTRK1JAK2HCRTR2
SCHEMBL28674970 0.77 AGTR2 (0.50) RIPK1NTRK1JAK2AGTR2
SCHEMBL29924546 0.77 TMEM97 (0.39) RIPK1GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 EP disclosed
EP-2350075-A1 SUBSTITUTED IMIDAZOÝ1,2B¨PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-08-03 EP disclosed
EP-2350071-A1 SUBSTITUTED PYRAZOLOÝ1,5-a¨PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-08-03 EP disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 WO disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
WO-2010033941-A1 SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-03-25 WO disclosed