SCHEMBL29409148

SCHEMBL29409148

NC12CC(n3ccc(-c4ccc(C(F)(F)F)nc4)c3)(C1)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.35
▸ GRM5 P41594 3/20 0.34
▸ KCNH2 Q12809 6/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ MCHR1 Q99705 4/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL22613986 1.00 PIK3CA (0.37) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL22614435 0.80 MCHR1 (0.36) KCNH2MCHR1EP300
SCHEMBL29499484 0.75 GSK3B (0.35) KCNH2MCHR1EP300
SCHEMBL29409098 0.75 GSK3B (0.35) KCNH2MCHR1EP300
SCHEMBL22613893 0.71 CYP1A2 (0.32) —
SCHEMBL22613771 0.68 KCNH2 (0.34) KCNH2
SCHEMBL22613887 0.65 KCNH2 (0.37) KCNH2
SCHEMBL15743364 0.65 DYRK1A (0.55) PIK3CATRPV4GRM5MCHR1
SCHEMBL23951820 0.65 PIK3CA (0.53) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003021 0.64 KIF11 (0.47) PIK3CAPI4KBPIK3CDPIK3CBPI4KA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 — — EP disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 — — WO disclosed
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
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