SCHEMBL14312836

SCHEMBL14312836

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.32
▸ TGFBR2 P37173 2/20 0.32
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 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
SCHEMBL14312676 0.93 TGFBR1 (0.32) TGFBR1TGFBR2
SCHEMBL14313093 0.93 — —
SCHEMBL14313200 0.93 MAPK8 (0.32) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14313243 0.89 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL14312949 0.89 HPGDS (0.34) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14313212 0.88 MAPK8 (0.33) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14312847 0.88 HPGDS (0.36) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14313407 0.86 HPGDS (0.30) —
SCHEMBL14313154 0.86 NTRK1 (0.31) TGFBR1TGFBR2MAPK8MAPK9MAPK10
SCHEMBL14312866 0.85 MAPK8 (0.34) TGFBR1TGFBR2MAPK8MAPK9MAPK10

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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