SCHEMBL24651054

SCHEMBL24651054

Nc1nccc2c1c(-c1ccc3c(c1F)CCN3C(=O)Cc1cc(C(F)(F)F)ccc1F)nn2C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 11/20 0.43
▸ RIPK1 Q13546 8/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ EIF2AK2 P19525 4/20 0.43
▸ EIF2AK1 Q9BQI3 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ EIF2AK4 Q9P2K8 2/20 0.43
▸ CYP2C8 P10632 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ GPR52 Q9Y2T5 1/20 0.38
▸ CSF1R P07333 2/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NEK4 P51957 1/20 0.35

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
SCHEMBL30120820 1.00 EIF2AK3 (0.43) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL25793432 0.89 RIPK1 (0.48) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL30120848 0.83 EIF2AK3 (0.47) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL24650695 0.83 EIF2AK3 (0.47) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL30120865 0.82 EIF2AK3 (0.47) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL24650628 0.82 EIF2AK3 (0.47) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL24651193 0.82 CCRL2 (0.37) EIF2AK3CYP3A4CYP2D6CSF1RCYP1A2
SCHEMBL30120742 0.82 CCRL2 (0.37) EIF2AK3CYP3A4CYP2D6CSF1RCYP1A2
SCHEMBL30120844 0.80 EIF2AK3 (0.56) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL24651063 0.80 EIF2AK3 (0.56) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1

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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