SCHEMBL30633295

SCHEMBL30633295

COCC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ BUB1 O43683 1/20 0.40
▸ PIK3C3 Q8NEB9 11/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL26686389 1.00 MAPK8 (0.42) MAPK8MAPK10BUB1PIK3C3ALDH1A1
SCHEMBL26686526 0.90 PIK3C3 (0.39) MAPK8MAPK10PIK3C3WNT3A
SCHEMBL26686349 0.90 PIK3C3 (0.41) MAPK8MAPK10BUB1PIK3C3WNT3A
SCHEMBL31420562 0.90 PIK3C3 (0.41) MAPK8MAPK10BUB1PIK3C3WNT3A
SCHEMBL30633291 0.89 PIK3C3 (0.51) PIK3C3
SCHEMBL26888164 0.89 PIK3C3 (0.51) PIK3C3
SCHEMBL31420510 0.89 PIK3C3 (0.51) PIK3C3
SCHEMBL26686446 0.87 AAK1 (0.44) PIK3C3WNT3AMAPK1
SCHEMBL31420705 0.87 AAK1 (0.44) PIK3C3WNT3AMAPK1
SCHEMBL31420490 0.86 PIK3C3 (0.52) PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
Send feedback