SCHEMBL30170771

SCHEMBL30170771

COc1cc2nc(COCc3ccccc3)nc(O)c2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ EPHA2 P29317 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL30170681 0.86 DHODH (0.42) ELANEPDGFRBPDGFRADHODHNTSR1
SCHEMBL24791336 0.82 AXL (0.37) ELANEALOX5HTR2AKDRNQO2
SCHEMBL30170870 0.80 ELANE (0.39) ELANEPDGFRBPDGFRADHODHNTSR1
SCHEMBL30170858 0.77 ALOX5 (0.39) ELANEPDGFRBPDGFRAALOX5DHODH
SCHEMBL15819502 0.76 NTSR1 (0.59) ELANEALOX5NTSR1PDE3BPDE3A
SCHEMBL24791028 0.71 PDE4A (0.49) ALOX5PDE3BPDE3AMEN1KMT2A
SCHEMBL19385357 0.71 ELANE (0.55) ELANEPDGFRBPDGFRAPDE3BPDE3A
SCHEMBL5532256 0.70 SMN1; SMN2 (0.45) ELANEMAPTHTR2AL3MBTL1HTR2C
SCHEMBL15502326 0.69 ELANE (0.53) ELANEPDGFRBPDGFRAABCB1NSD2
SCHEMBL15819106 0.67 NTSR1 (0.49) ELANENTSR1PDE3BPDE3AKDM4E

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
WO-2022262691-A1 HETEROCYCLIC COMPOUNDS AS SOS1 INHIBITORS BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-12-22 — — WO disclosed
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