SCHEMBL9524724

SCHEMBL9524724

COc1ccc2nnc(C(=O)Nc3ccncc3)c(O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TYK2 P29597 2/20 0.53
JAK2 O60674 1/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 3/20 0.47
DHODH Q02127 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDK1 Q15118 1/20 0.44
POLB P06746 1/20 0.44
RAF1 P04049 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9524233 0.89 DHODH (0.54) MAPTKMT2AMEN1ALDH1A1DHODH
SCHEMBL9525813 0.87 MEN1 (0.50) MAPTKMT2AMEN1DHODHNPC1
SCHEMBL9525671 0.86 RAB9A (0.57) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9524693 0.82 FADS1 (0.58) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9524171 0.82 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9523781 0.81 KCNMA1 (0.54) MAPTTYK2JAK2KMT2AMEN1
SCHEMBL9524202 0.81 F2 (0.56) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9527461 0.79 ADORA3 (0.61) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9523892 0.78 HIF1A (0.53) MAPTTYK2JAK2NPC1RAB9A
SCHEMBL9524714 0.77 NPC1 (0.56) MAPTKMT2AMEN1ALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed