SCHEMBL30633397

SCHEMBL30633397

CC(C)c1cccc(NC(=O)Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.58
▸ NTRK1 P04629 2/20 0.51
▸ JAK2 O60674 3/20 0.49
▸ MAPK1 P28482 6/20 0.46
▸ FLT3 P36888 3/20 0.45
▸ PLK4 O00444 3/20 0.45
▸ ROCK2 O75116 3/20 0.45
▸ DYRK1A Q13627 3/20 0.45
▸ MARK2 Q7KZI7 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ LCK P06239 2/20 0.45
▸ CSF1R P07333 2/20 0.45
▸ KIT P10721 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ CSNK2A1 P68400 2/20 0.45
▸ NTRK2 Q16620 2/20 0.45

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
SCHEMBL26686005 1.00 KDR (0.58) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL31240740 0.88 JAK2 (0.47) KDRNTRK1JAK2PLK4ROCK2
SCHEMBL26685861 0.86 JAK2 (0.56) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL30633352 0.86 JAK2 (0.56) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL30633305 0.85 KDR (0.57) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL30633365 0.85 KDR (0.62) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL26686045 0.85 KDR (0.57) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL26685808 0.85 KDR (0.62) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL31420120 0.85 JAK2 (0.48) KDRNTRK1JAK2MAPK1FLT3
SCHEMBL26685726 0.85 JAK2 (0.48) KDRNTRK1JAK2MAPK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
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
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