SCHEMBL4728311

SCHEMBL4728311

COC(=O)c1ccc(-c2cc(N)cnc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
SLC2A1 P11166 1/20 0.48
EGFR P00533 2/20 0.46
PDGFRB P09619 2/20 0.45
KDR P35968 2/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
MAPT P10636 6/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL38655748 0.82 MAP2K4 (0.48) SLC2A1PDGFRBKDRMAPTRAB9A
SCHEMBL4728233 0.79 POLB (0.49) SLC2A1EGFRSGK1CAMKK2MAPT
SCHEMBL38655190 0.78 PDGFRB (0.44) SLC2A1EGFRPDGFRBKDRMAPT
SCHEMBL4703194 0.78 MAPT (0.51) SLC2A1EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL20733018 0.78 SGK1 (0.44) SLC2A1EGFRPDGFRBKDRSGK1
SCHEMBL4728295 0.77 KMT2A (0.50) ABL1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL11709594 0.77 PDGFRB (0.56) SLC2A1EGFRPDGFRBKDRSGK1
SCHEMBL9939712 0.76 ABL1 (0.66) ABL1PDGFRBKDR
SCHEMBL2152852 0.75 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2TP53TDP1
SCHEMBL6102320 0.75 SLC2A1 (0.58) SLC2A1EGFRMAPTRAB9ASMN1; SMN2

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed