SCHEMBL30320037

SCHEMBL30320037

c1ccc2c(c1)[nH]c1cncnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.53
GABRG2 P18507 4/20 0.53
GABRB3 P28472 4/20 0.53
GABRA5 P31644 4/20 0.53
GABRA3 P34903 4/20 0.53
GABRA2 P47869 4/20 0.53
GABRP O00591 3/20 0.53
GABRD O14764 3/20 0.53
GABRB1 P18505 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRA4 P48169 3/20 0.53
GABRE P78334 3/20 0.53
GABRA6 Q16445 3/20 0.53
GABRG1 Q8N1C3 3/20 0.53
GABRG3 Q99928 3/20 0.53
GABRQ Q9UN88 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
IKBKB O14920 1/20 0.53

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
SCHEMBL2391060 1.00 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12590234 0.81 CHUK (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12590229 0.79 ACHE (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12396543 0.79 MAPK14 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12590228 0.77 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1849463 0.77 MAPT (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1458276 0.76 CDK4 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30103963 0.76 CDK4 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2628321 0.75 GABRP (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2628327 0.75 KDM4E (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843647-A 5H-pyrimido [5,4-b ] indole derivative and preparation method thereof 合肥工业大学 2024-04-09 CN claimed
EP-4633739-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS Flare Therapeutics, Inc. (US) 2025-10-22 EP disclosed
WO-2024129715-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2024-06-20 WO disclosed
CN-117843647-A 5H-pyrimido [5,4-b ] indole derivative and preparation method thereof 合肥工业大学 2024-04-09 CN disclosed
CN-117843647-A 5H-pyrimido [5,4-b ] indole derivative and preparation method thereof 合肥工业大学 2024-04-09 CN disclosed
CN-117843647-A 5H-pyrimido [5,4-b ] indole derivative and preparation method thereof 合肥工业大学 2024-04-09 CN disclosed
CN-116635383-A Heterocyclic compound and organic light-emitting element comprising same LT素材株式会社 2023-08-22 CN disclosed
CN-116113424-A Fast vaccine platform 赛托纳斯治疗公司 2023-05-12 CN disclosed