SCHEMBL30287671

SCHEMBL30287671

N#Cc1ccc2nccc(Nc3cccc(-c4nc5ccc(Nc6ccncc6)nc5[nH]4)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.44
▸ KDR P35968 10/20 0.44
▸ GAK O14976 1/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ COQ8A Q8NI60 1/20 0.43
▸ NLK Q9UBE8 1/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL24006095 1.00 MAPKAPK2 (0.44) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL24010183 0.91 KDR (0.47) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL23999396 0.91 MAPKAPK2 (0.52) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL24003905 0.87 KDR (0.58) MAPKAPK2KDRRAF1BRAFPKN1
SCHEMBL30287670 0.87 KDR (0.58) MAPKAPK2KDRRAF1BRAFPKN1
SCHEMBL24006108 0.87 KDR (0.58) MAPKAPK2KDRRAF1BRAFPKN1
SCHEMBL25850556 0.85 GAK (0.44) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL24010188 0.84 ABCG2 (0.41) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL24010186 0.83 MAPKAPK2 (0.44) MAPKAPK2KDRGAKRIPK2COQ8A
SCHEMBL24006251 0.82 KDR (0.46) MAPKAPK2KDRGAKRIPK2COQ8A

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-4426289-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 — — EP disclosed
CN-118574610-A AKT3 modulators 乔治穆内公司 2024-08-30 — — CN disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
CN-115996721-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 — — CN disclosed
CN-115867266-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 — — CN disclosed
EP-4146185-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
EP-4146212-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
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