SCHEMBL14312622

SCHEMBL14312622

Cc1csc(-c2ncc(OC(=O)Nn3cc(CC(F)F)c4cnccc43)c(C)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 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
SCHEMBL14313212 0.94 MAPK8 (0.33) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313326 0.93 — —
SCHEMBL14312819 0.90 AGTR2 (0.31) MAPK8MAPK9MAPK10
SCHEMBL14312676 0.88 TGFBR1 (0.32) TGFBR1TGFBR2
SCHEMBL14312870 0.87 HPGDS (0.39) —
SCHEMBL14313194 0.87 HPGDS (0.36) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313450 0.87 — —
SCHEMBL14313210 0.86 TGFBR1 (0.34) TGFBR1
SCHEMBL14313154 0.85 NTRK1 (0.31) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313250 0.85 HPGDS (0.37) TGFBR1TGFBR2

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
Send feedback