SCHEMBL654828

SCHEMBL654828

O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2[nH]nc(NC(=O)c3ccccc3[N+](=O)[O-])c2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.49
AURKB Q96GD4 2/20 0.49
CDC7 O00311 1/20 0.49
CHEK1 O14757 1/20 0.49
JAK2 O60674 1/20 0.49
PAK4 O96013 1/20 0.49
NTRK1 P04629 1/20 0.49
PRKCB P05771 1/20 0.49
INSR P06213 1/20 0.49
RET P07949 1/20 0.49
KIT P10721 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
JAK3 P52333 1/20 0.49
PDK1 Q15118 1/20 0.49
STK26 Q9P289 1/20 0.49
AURKC Q9UQB9 1/20 0.49
MEN1 O00255 3/20 0.40

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
SCHEMBL652682 0.87 AURKA (0.53) AURKAAURKBCDC7CHEK1JAK2
SCHEMBL652872 0.83 BDKRB1 (0.45) AURKAMEN1KMT2AALDH1A1MAPT
SCHEMBL653508 0.83 BDKRB1 (0.45) AURKAMEN1KMT2AALDH1A1MAPT
SCHEMBL651209 0.80 CYP1A2 (0.46) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3893620 0.77 AURKA (0.63) AURKAAURKBCDC7CHEK1JAK2
SCHEMBL653933 0.75 MEN1 (0.43) AURKAMEN1KMT2AALDH1A1RAB9A
SCHEMBL652599 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL3882930 0.69 AURKA (0.62) AURKAAURKBCDC7CHEK1JAK2
SCHEMBL650318 0.69 ALDH1A1 (0.55) AURKAALDH1A1THRBLMNAMAPK1
SCHEMBL653980 0.69 ALDH1A1 (0.55) AURKAALDH1A1THRBLMNAMAPK1

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
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed