SCHEMBL23052187

SCHEMBL23052187

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C4CC4)C4CCCO4)n[nH]3)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.38
▸ PRKD1 Q15139 1/20 0.35
▸ MMEL1 Q495T6 1/20 0.34
▸ MAPK1 P28482 4/20 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
SCHEMBL29452838 1.00 MME (0.38) MMEPRKD1MMEL1MAPK1
SCHEMBL23052272 0.91 MME (0.36) MMEPRKD1MMEL1MAPK1
SCHEMBL28721826 0.91 KMT2A (0.40) MMEPRKD1
SCHEMBL23051909 0.91 KMT2A (0.40) MMEPRKD1
SCHEMBL23041632 0.91 KMT2A (0.40) MMEPRKD1
SCHEMBL23041604 0.91 KMT2A (0.40) MMEPRKD1
SCHEMBL23041634 0.91 KMT2A (0.40) MMEPRKD1
SCHEMBL23041512 0.86 PRKD1 (0.38) MMEPRKD1MMEL1
SCHEMBL23041520 0.86 PRKD1 (0.38) MMEPRKD1MMEL1
SCHEMBL23041552 0.86 PRKD1 (0.38) MMEPRKD1MMEL1

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
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN claimed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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