SCHEMBL932557

SCHEMBL932557

CCCCOC(=O)N1C(c2cc(F)ccc2F)CCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.44
JAK2 O60674 6/20 0.44
HTR2A P28223 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ATM Q13315 1/20 0.34
CRBN Q96SW2 1/20 0.34
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL2692795 0.80 NTRK1 (0.46) NTRK1JAK2
SCHEMBL2692794 0.80 NTRK1 (0.46) NTRK1JAK2
SCHEMBL28688005 0.79 NTRK1 (0.48) NTRK1JAK2MEN1KMT2AATM
SCHEMBL28688004 0.79 NTRK1 (0.48) NTRK1JAK2MEN1KMT2AATM
SCHEMBL932669 0.78 RIPK1 (0.46) NTRK1JAK2HCRTR2RIPK1
SCHEMBL17848871 0.75 SCN9A (0.42) NTRK1JAK2HTR2AKMT2ALMNA
SCHEMBL30142170 0.72 LMNA (0.38) NTRK1HTR2AMEN1KMT2ALMNA
SCHEMBL18812548 0.71 NTRK1 (0.43) NTRK1JAK2MEN1KMT2AATM
SCHEMBL14158149 0.69 LMNA (0.39) LMNAPOLBATMALDH1A1
SCHEMBL29891866 0.69 HTR2A (0.39) HTR2A

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-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 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