SCHEMBL30176219

SCHEMBL30176219

COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(C(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.43
▸ DHODH Q02127 4/20 0.41
▸ RORB Q92753 3/20 0.40
▸ KDR P35968 3/20 0.38
▸ PDGFRB P09619 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ BLM P54132 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAPGEF3 O95398 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL23782403 1.00 NOTUM (0.43) NOTUMDHODHRORBKDRPDGFRB
SCHEMBL30176213 0.90 KDM4E (0.39) NOTUMDHODHKDM4EMAPT
SCHEMBL23782609 0.90 KDM4E (0.39) NOTUMDHODHKDM4EMAPT
SCHEMBL26242059 0.88 DHODH (0.36) NOTUMDHODHKDM4EBLMMAPT
SCHEMBL23792482 0.82 ALDH1A1 (0.38) NOTUMDHODHKDM4EMAPTTRPV1
SCHEMBL23782503 0.81 NOTUM (0.44) NOTUMDHODHRORBKDRPDGFRB
SCHEMBL30176220 0.81 NOTUM (0.44) NOTUMDHODHRORBKDRPDGFRB
SCHEMBL30173772 0.81 DHODH (0.45) NOTUMDHODHRORBKDRRAPGEF3
SCHEMBL23782401 0.81 DHODH (0.45) NOTUMDHODHRORBKDRRAPGEF3
SCHEMBL23791998 0.79 DHODH (0.46) NOTUMDHODHRORBKDR

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
EP-4114529-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2023-01-11 — — EP disclosed
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