SCHEMBL13201008

SCHEMBL13201008

O=C(Nc1ccccc1)c1ccc2cnccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
POLB P06746 2/20 0.57
CTSA P10619 2/20 0.56
IMPDH2 P12268 2/20 0.52
HTT P42858 2/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
ACKR3 P25106 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL1131467 0.83 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL945400 0.81 RAB9A (0.73) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5090202 0.80 HDAC3 (0.63) SMN1; SMN2POLBCTSAIMPDH2HTT
SCHEMBL5093623 0.79 CTSA (0.58) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4729283 0.78 ALDH1A1 (0.63) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5090088 0.78 RAB9A (0.62) RAB9ASMN1; SMN2CTSANPC1ALDH1A1
SCHEMBL1016413 0.77 MGAM (0.58) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4534378 0.77 RAB9A (0.71) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL25110541 0.77 MAPT (0.51) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5093535 0.77 CTSA (0.59) CTSAALDH1A1MAPK1MEN1KMT2A

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-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed