SCHEMBL30170870

SCHEMBL30170870

COc1cc2nc(COCc3ccccc3)nc(OCC(F)(F)F)c2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ EPHA2 P29317 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30170714 0.81 ELANE (0.34) ELANETRPV1PDGFRBPDGFRADHODH
SCHEMBL30170681 0.80 DHODH (0.42) ELANEPDGFRBPDGFRADHODHEPHA2
SCHEMBL30170771 0.80 ELANE (0.41) ELANEPDGFRBPDGFRADHODHEPHA2
SCHEMBL30170868 0.80 ALOX5 (0.38) ELANETRPV1PDGFRBPDGFRAEPHA2
SCHEMBL30170824 0.80 SOS1 (0.35) ELANETRPV1PDGFRBPDGFRAEPHA2
SCHEMBL20982537 0.64 HTR2A (0.52) —
SCHEMBL31172781 0.64 MAPT (0.45) PKMKDM4E
SCHEMBL24791336 0.62 AXL (0.37) ELANEKDREGFR
SCHEMBL23094469 0.62 KMT2A (0.60) —
SCHEMBL8184228 0.62 MAOB (0.60) PDGFRBPDGFRAPKM

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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