SCHEMBL22738975

SCHEMBL22738975

CC1CC=C(c2nncn2C2CC2)C=C1NC(=O)c1cc(-c2cnc3cccnc3c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 13/20 0.42
▸ CBLB Q13191 1/20 0.35
▸ TNF P01375 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ MYLK Q15746 2/20 0.33
▸ AKT1 P31749 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
SCHEMBL945065 0.82 MAP3K5 (0.61) MAP3K5CBLBMYLK
SCHEMBL945258 0.73 MAP3K5 (0.61) MAP3K5CBLBMYLK
SCHEMBL943672 0.72 MAP3K5 (0.51) MAP3K5TNF
SCHEMBL22739076 0.72 MAP3K5 (0.40) MAP3K5CBLBTNFAKT1
SCHEMBL946060 0.71 MAP3K5 (0.52) MAP3K5TNF
SCHEMBL945462 0.71 MAP3K5 (0.59) MAP3K5CBLB
SCHEMBL945552 0.71 MAP3K5 (0.63) MAP3K5CBLBTNFMYLK
SCHEMBL946466 0.71 MAP3K5 (0.51) MAP3K5CBLBTNFMYLK
SCHEMBL16848415 0.71 MAP3K5 (0.65) MAP3K5CBLB
SCHEMBL943565 0.70 MAP3K5 (0.60) MAP3K5CBLBMGLLMYLK

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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