SCHEMBL14312949

SCHEMBL14312949

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ TGFBR1 P36897 6/20 0.33
▸ TGFBR2 P37173 3/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TSHR P16473 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
SCHEMBL14313194 0.93 HPGDS (0.36) HPGDSMAPK8MAPK9MAPK10TGFBR1
SCHEMBL14312659 0.92 HPGDS (0.34) HPGDSBCHEACHE
SCHEMBL14312847 0.90 HPGDS (0.36) HPGDSMAPK8MAPK9MAPK10TGFBR1
SCHEMBL14313200 0.90 MAPK8 (0.32) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14312836 0.89 TGFBR1 (0.32) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313453 0.88 HPGDS (0.35) HPGDSMAPK8MAPK9MAPK10BCHE
SCHEMBL14312866 0.88 MAPK8 (0.34) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313212 0.87 MAPK8 (0.33) MAPK8MAPK9MAPK10TGFBR1TGFBR2
SCHEMBL14313355 0.85 TGFBR1 (0.35) HPGDSMAPK8MAPK9MAPK10TGFBR1
SCHEMBL14313345 0.85 HPGDS (0.35) HPGDSBCHEACHE

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