SCHEMBL31439387

SCHEMBL31439387

O=c1[nH]c2cnc3ccc(Br)cc3c2n1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.41
▸ MTOR P42345 8/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ NT5E P21589 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL9905396 0.86 PIK3CA (0.46) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL5653378 0.83 PIK3CA (0.42) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL31439285 0.82 MTOR (0.50) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL16719262 0.82 MTOR (0.50) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL18998180 0.81 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20390762 0.81 PIK3CA (0.44) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL31439381 0.81 PIK3CA (0.44) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL31439289 0.78 PIK3CA (0.47) PIK3CAMTORPIK3CDGABRA1GABRG2
SCHEMBL31439293 0.78 MTOR (0.49) PIK3CAMTORPIK3CDNT5ELMNA
SCHEMBL31439349 0.77 GABRA1 (0.38) PIK3CAMTORGABRA1GABRG2GABRB3

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
CN-119661531-A Imidazolone compound as well as preparation method and application thereof 北京富龙康泰生物技术有限公司 2025-03-21 — — CN disclosed
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