SCHEMBL19062249

SCHEMBL19062249

FCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.53
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
DAO P14920 1/20 0.50
MAPK14 Q16539 1/20 0.47
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
CNR1 P21554 1/20 0.44
TACR1 P25103 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL5009648 0.86 DAO (0.55) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL178310 0.84 CHRM2 (0.55) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL77358 0.82 CETP (0.59) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL1044620 0.82 CHRM2 (0.57) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL92907 0.82 CETP (0.55) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL7931524 0.82 CETP (0.51) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL2094315 0.82 CETP (0.51) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL8224420 0.82 CETP (0.55) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL7118708 0.82 CETP (0.51) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL447002 0.82 CETP (0.51) CETPCHRM2CHRM1CHRM3DAO

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-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 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