SCHEMBL1504837

SCHEMBL1504837

COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4ccccc34)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ABCG2 Q9UNQ0 2/20 0.52
MAPT P10636 7/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MCL1 Q07820 1/20 0.49
KDR P35968 3/20 0.48
TP53 P04637 1/20 0.47
CSNK1D P48730 1/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL1505089 0.91 KDR (0.56) ABCG2KDREGFR
SCHEMBL3945407 0.84 KDR (0.54) NTRK1KDREGFR
SCHEMBL2190947 0.82 NTRK1 (0.54) NTRK1MEN1KMT2ARAB9ANPC1
SCHEMBL1504863 0.81 KDR (0.58) KDREGFR
4Sc-203 SCHEMBL1505017 0.80 EGFR (0.64) KDREGFRAURKB
4Sc-203 SCHEMBL29370845 0.80 EGFR (0.64) KDREGFRAURKB
SCHEMBL2187713 0.80 NTRK1 (0.48) NTRK1MEN1KMT2ARAB9ANPC1
SCHEMBL2192069 0.78 RAB9A (0.48) NTRK1MEN1KMT2ARAB9ANPC1
SCHEMBL3951600 0.78 KDR (0.49) KDREGFR
SCHEMBL25002181 0.77 RAB9A (0.77) MEN1KMT2ARAB9ANPC1MAPT

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
WO-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 WO claimed
WO-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 WO disclosed