SCHEMBL4081353

SCHEMBL4081353

Cc1cc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
PRKCB P05771 2/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 1/20 0.37
FGFR1 P11362 2/20 0.37
KDR P35968 2/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.34
RAF1 P04049 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4078238 0.84 AURKA (0.43) BRAFTAS2R8PRKCBFGFR1KDR
SCHEMBL4088628 0.83 RAB9A (0.43) CCNE1CDK2GSK3BALDH1A1GAA
SCHEMBL4092000 0.82 HPGD (0.43) TAS2R8ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL4088278 0.81 KDM4E (0.41) ALDH1A1POLBLMNAL3MBTL1
SCHEMBL4081173 0.78 RAB9A (0.42) PRKCBGSK3BALDH1A1SMN1; SMN2POLB
SCHEMBL4088627 0.78 PRKCB (0.36) PRKCBGSK3BFGFR1KDRBACE1
SCHEMBL4087457 0.77 KLK7 (0.47) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL4088557 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL4081816 0.76 MAPT (0.47) ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL4078618 0.76 CDK7 (0.35) CDK2GSK3BGAASMN1; SMN2POLB

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 2 patents. 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 claimed
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