SCHEMBL30167771

SCHEMBL30167771

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1S(=O)(=O)N1CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ AURKB Q96GD4 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ LCK P06239 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ BCL6 P41182 1/20 0.33

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
SCHEMBL24105243 1.00 PTK6 (0.40) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL24104694 0.96 PTK6 (0.38) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL30167855 0.96 PTK6 (0.38) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL30167729 0.91 PTK6 (0.41) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL24105198 0.91 PTK6 (0.41) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL24105246 0.91 PTK6 (0.38) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL30167773 0.91 PTK6 (0.38) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL25170711 0.91 KMT2A (0.38) PTK6KMT2AAURKBAURKAALDH1A1
Hydrochloric Acid SCHEMBL25173779 0.90 PTK6 (0.41) PTK6KMT2AAURKBAURKAALDH1A1
SCHEMBL25177003 0.90 PTK6 (0.39) PTK6AURKBAURKAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN claimed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
Send feedback