SCHEMBL18602196

SCHEMBL18602196

N#CCOc1ccc(C#N)cc1C(N)CC#N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.33
FFAR1 O14842 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
AR P10275 3/20 0.31
CCR5 P51681 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL12833186 0.90 TRPV4 (0.34) TRPV4PTGDR2FFAR1MRGPRX4AR
SCHEMBL12302988 0.82 TRPV4 (0.38) TRPV4PTGDR2MRGPRX4AR
SCHEMBL19062302 0.82 TRPV4 (0.35) TRPV4PTGDR2MRGPRX4AR
SCHEMBL9918202 0.79 TRPV4 (0.36) TRPV4PTGDR2MRGPRX4AR
SCHEMBL16691094 0.79 TRPV4 (0.39) TRPV4PTGDR2MRGPRX4AR
SCHEMBL18896348 0.76 TRPV4 (0.36) TRPV4PTGDR2AR
SCHEMBL9918833 0.73 TRPV4 (0.34) TRPV4PTGDR2AR
SCHEMBL12833000 0.73 KDM4E (0.35) ALOX5APFEN1
SCHEMBL20855644 0.71 AR (0.43) TRPV4AR
SCHEMBL20855647 0.71 AR (0.43) TRPV4AR

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
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed