SCHEMBL30120917

SCHEMBL30120917

ClB(Cl)Cl.Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3C(=O)Cc1cc(C(F)(F)F)ccc1F)cn2C1CC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 13/20 0.52
▸ RIPK1 Q13546 8/20 0.52
▸ EIF2AK2 P19525 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ EIF2AK1 Q9BQI3 4/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ EIF2AK4 Q9P2K8 2/20 0.52
▸ CYP2C8 P10632 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ NTRK1 P04629 2/20 0.42
▸ LCK P06239 2/20 0.42
▸ RET P07949 2/20 0.42
▸ KIT P10721 2/20 0.42
▸ NTRK2 Q16620 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NEK4 P51957 1/20 0.42
▸ MAP3K9 P80192 1/20 0.42

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
SCHEMBL24651168 0.97 EIF2AK3 (0.54) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120843 0.97 EIF2AK3 (0.54) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120844 0.91 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24651063 0.91 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120821 0.89 EIF2AK3 (0.57) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24650632 0.89 EIF2AK3 (0.57) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24650644 0.88 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120856 0.88 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL24651171 0.86 EIF2AK3 (0.54) EIF2AK3RIPK1EIF2AK2CYP3A4EIF2AK1
SCHEMBL30120815 0.86 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
Send feedback