SCHEMBL14312847

SCHEMBL14312847

Cc1csc(-c2ncc(OC(=O)Nn3cc(C(F)(F)F)c4ccncc43)c(C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.36
▸ TGFBR1 P36897 6/20 0.34
▸ TGFBR2 P37173 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NTRK1 P04629 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PTGS2 P35354 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ RBP4 P02753 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
SCHEMBL14313250 0.94 HPGDS (0.37) HPGDSTGFBR1TGFBR2KDM4ETDP1
SCHEMBL14313038 0.93 HPGDS (0.35) HPGDSKDM4ETDP1S1PR1S1PR3
SCHEMBL14312949 0.90 HPGDS (0.34) HPGDSTGFBR1TGFBR2KDM4EMAPT
SCHEMBL14312866 0.90 MAPK8 (0.34) TGFBR1TGFBR2MAPTNPSR1MAPK8
SCHEMBL14312836 0.88 TGFBR1 (0.32) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14313200 0.87 MAPK8 (0.32) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14312830 0.86 HPGDS (0.37) HPGDSTGFBR1KDM4ENTRK1MAPT
SCHEMBL14312884 0.86 HPGDS (0.39) HPGDSTGFBR1TGFBR2NTRK1MAPT
SCHEMBL14313212 0.85 MAPK8 (0.33) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14313194 0.84 HPGDS (0.36) HPGDSTGFBR1TGFBR2KDM4EMAPT

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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