SCHEMBL16735375

SCHEMBL16735375

O=C1CSC(=Cc2ccccn2)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 14/20 0.59
IKBKB O14920 3/20 0.56
RAF1 P04049 3/20 0.56
RPS6KB1 P23443 3/20 0.56
MAPK1 P28482 3/20 0.56
AKT1 P31749 3/20 0.56
AKT2 P31751 3/20 0.56
KDR P35968 3/20 0.56
MAPKAPK2 P49137 3/20 0.56
PRKAG1 P54619 3/20 0.56
MAP2K1 Q02750 3/20 0.56
PRKAA1 Q13131 3/20 0.56
NEK1 Q96PY6 3/20 0.56
PRKAB1 Q9Y478 3/20 0.56
PRDX1 Q06830 1/20 0.54
MAPK14 Q16539 1/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL28014404 0.75 ADAMTS5 (0.58) ADAMTS5ALDH1A1HPGDLMNAADAMTS13
SCHEMBL12862500 0.73 MAPK1 (0.59) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL10062873 0.72 MAPK1 (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL31070046 0.72 MAPK1 (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL21067541 0.71 MAPK1 (0.56) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL5140356 0.71 PIK3CD (0.58) ADAMTS5MAPK1MEN1NPC1MAPT
SCHEMBL21460534 0.70 IKBKB (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL21460535 0.70 IKBKB (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL29794510 0.70 IKBKB (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL8106620 0.70 IKBKB (1.00) IKBKBRAF1RPS6KB1MAPK1AKT1

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-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP disclosed