SCHEMBL24650696

SCHEMBL24650696

CN1CCN(Cc2ccc(C(F)(F)F)cc2CC(=O)N2CCc3c2ccc(-c2cn(C4CC4)c4ncnc(N)c24)c3F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 13/20 0.54
▸ RIPK1 Q13546 10/20 0.54
▸ EIF2AK2 P19525 5/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ EIF2AK1 Q9BQI3 4/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ EIF2AK4 Q9P2K8 2/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ NTRK1 P04629 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ YES1 P07947 1/20 0.46
▸ RET P07949 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ AXL P30530 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NEK4 P51957 1/20 0.46
▸ MAP3K9 P80192 1/20 0.46
▸ MAP3K10 Q02779 1/20 0.46

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
SCHEMBL30121069 1.00 EIF2AK3 (0.54) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24650634 0.90 EIF2AK3 (0.55) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120856 0.90 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24650644 0.90 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24651071 0.89 EIF2AK3 (0.53) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120844 0.89 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24651063 0.89 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120821 0.87 EIF2AK3 (0.57) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24650632 0.87 EIF2AK3 (0.57) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24651171 0.85 EIF2AK3 (0.54) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
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