SCHEMBL18896341

SCHEMBL18896341

CCC(CC)C(CC#N)c1cncc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL19592371 0.92 CTSL (0.31) CTSL
SCHEMBL21316588 0.87 MEN1 (0.33) CTSLMAPTMEN1ALDH1A1LMNA
SCHEMBL9918194 0.84 CTSL (0.32) CTSLMAPTMEN1ALDH1A1LMNA
SCHEMBL18896345 0.82 RAF1 (0.32) CYP11B1CYP11B2
SCHEMBL19592391 0.78
SCHEMBL9921702 0.78 MEN1 (0.34) CTSLMAPTMEN1ALDH1A1LMNA
SCHEMBL19592265 0.74 HDAC6 (0.33)
SCHEMBL27875862 0.74 POLB (0.38) CTSLMAPTMEN1ALDH1A1LMNA
SCHEMBL24767572 0.73 CTSB (0.31) CYP11B1CYP11B2
SCHEMBL19592353 0.72 PBRM1 (0.37) CYP11B1CYP11B2

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
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed