SCHEMBL4088696

SCHEMBL4088696

O=C=Nc1[nH]nc2cc(C(=O)O)oc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.33
DAO P14920 2/20 0.32
PIM1 P11309 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL4088694 0.69 HCAR2 (0.33) GPR35DAOPIM1KMT2A
SCHEMBL652871 0.62 ALPL (0.43) GPR35KDM4EKMT2A
SCHEMBL3954538 0.60 PIM1 (0.40) GPR35DAOPIM1CSNK2A2CSNK2B
SCHEMBL16085090 0.58 ALDH1A1 (0.41) GPR35DAOPIM1CSNK2A2CSNK2B
SCHEMBL23804707 0.58 DAO (0.43) GPR35DAOPIM1CSNK2A2CSNK2B
SCHEMBL4088691 0.57 HCAR2 (0.33) DAO
SCHEMBL18096283 0.56 MCL1 (0.43) GPR35DAOPIM1CSNK2A2CSNK2B
SCHEMBL29689092 0.56 KDM4E (0.49) GPR35PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4128614 0.56 KDM4E (0.49) GPR35PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL29268435 0.55 PIM1 (0.49) PIM1KDM4EKMT2A

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed