SCHEMBL14312960

SCHEMBL14312960

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.36
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ SCN9A Q15858 7/20 0.34
▸ SYK P43405 3/20 0.32
▸ SRC P12931 2/20 0.32
▸ ZAP70 P43403 2/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CTSA P10619 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ SPR P35270 1/20 0.31

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
SCHEMBL14312885 0.87 HPGDS (0.49) HPGDSCDC7CDK2MAPTNPSR1
SCHEMBL12083914 0.85 HPGDS (0.51) HPGDSMAPK8MAPK9MAPK10SYK
SCHEMBL14313271 0.84 MAPT (0.33) HPGDSMAPT
SCHEMBL14312699 0.84 HPGDS (0.37) HPGDS
SCHEMBL14312581 0.84 HPGDS (0.51) HPGDS
SCHEMBL14313340 0.83 MAPK9 (0.35) HPGDSMAPK8MAPK9MAPK10SCN9A
SCHEMBL14313270 0.82 HPGDS (0.32) HPGDSMAPK8MAPK9MAPK10
SCHEMBL14312407 0.81 HPGDS (0.39) HPGDSMAPT
SCHEMBL14312864 0.79 HPGDS (0.39) HPGDSNPSR1S1PR1
SCHEMBL14312879 0.79 ENPP3 (0.36) HPGDSNPSR1

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-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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