SCHEMBL22739188

SCHEMBL22739188

C=C/C=C(\C=C(/C)NC(=O)c1cc(N2CCC(N)C2)ccn1)c1nncn1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.38
▸ CBLB Q13191 6/20 0.36
▸ USP30 Q70CQ3 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NTRK1 P04629 3/20 0.31
▸ MAP4K1 Q92918 3/20 0.31
▸ LCK P06239 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31

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
SCHEMBL945460 0.70 MAP3K5 (0.55) CBLB
SCHEMBL23720725 0.68 CBLB (0.43) HRH4CBLBNTRK1MAP4K1LCK
SCHEMBL23721179 0.67 CBLB (0.35) CBLBPDGFRB
SCHEMBL21469736 0.60 MAP3K5 (0.48) —
Hydrochloric Acid SCHEMBL5227057 0.60 HRH4 (0.46) HRH4USP30
SCHEMBL27644149 0.60 HRH4 (0.44) HRH4USP30
SCHEMBL2563476 0.59 USP30 (0.43) HRH4USP30ACACB
SCHEMBL29951919 0.57 USP30 (0.48) USP30ACACB
SCHEMBL19458953 0.57 HRH4 (0.68) HRH4ACACB
SCHEMBL846850 0.57 HRH4 (0.68) HRH4ACACB

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-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
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