SCHEMBL17255754

SCHEMBL17255754

COc1c(Nc2cccc3[nH]ccc23)cccc1OCCN1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
HTR1A P08908 8/20 0.42
SLC6A4 P31645 3/20 0.42
PRKCQ Q04759 6/20 0.42
PRKCD Q05655 3/20 0.42
PRKCB P05771 1/20 0.41
LCK P06239 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1B P28222 1/20 0.40
RET P07949 1/20 0.40
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL17255760 0.83 LTA4H (0.45) SRCHTR1APRKCQPRKCDHTR1B
SCHEMBL2975469 0.81 RET (0.47) SRCHTR1APRKCQHTR1BRET
SCHEMBL2986267 0.77 RET (0.45) SRCHTR1APRKCQHTR1BRET
SCHEMBL17255752 0.77 TSHR (0.51) HTR1ASLC6A4HTR1BRET
SCHEMBL2982161 0.76 RET (0.54) PRKCQPRKCDHTR1BRETJAK2
SCHEMBL2971119 0.73 PRKCQ (0.75) PRKCQPRKCDPRKCBLCKPRKCH
SCHEMBL14358832 0.73 HTR1A (0.55) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL17255748 0.72 POLB (0.54) PRKCQPRKCDPRKCBLCKPRKCH
SCHEMBL17255759 0.72 HTR1A (0.46) HTR1APRKCQPRKCDHTR1BJAK2
SCHEMBL17255761 0.71 PRKCQ (0.51) SRCPRKCQPRKCDPRKCBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed