SCHEMBL30180360

SCHEMBL30180360

Fc1ccc2nccc(Nc3ccc(-c4nc5cc(Nc6ccncc6)ccc5[nH]4)cc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.63
▸ MET P08581 1/20 0.46
▸ GAK O14976 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ TGFBR1 P36897 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL23999511 1.00 KDR (0.63) KDRMETGAKCCNCCDK8
SCHEMBL23999699 1.00 KDR (0.63) KDRMETGAKCCNCCDK8
SCHEMBL30210280 1.00 KDR (0.63) KDRMETGAKCCNCCDK8
SCHEMBL24006212 0.93 KDR (0.73) KDRMETKDM4EALDH1A1HPGD
SCHEMBL23999470 0.93 KDR (0.73) KDRMETKDM4EALDH1A1HPGD
SCHEMBL25826862 0.92 KDR (0.68) KDRMETCCNCCDK8MAPKAPK2
SCHEMBL26323743 0.88 KDR (0.63) KDRMETMAPKAPK2
SCHEMBL26310703 0.86 KDR (0.50) KDRMETKDM4EALDH1A1CYP1A2
SCHEMBL23999513 0.85 MAPKAPK2 (0.52) KDRGAKMAPKAPK2
SCHEMBL23999449 0.85 MAPKAPK2 (0.52) KDRGAKMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426279-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 — — EP disclosed
CN-118524833-A AKT3 modulators 乔治穆内公司 2024-08-20 — — CN disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
CN-115996939-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 — — CN disclosed
CN-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 — — CN disclosed
EP-4146667-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
EP-4146666-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
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