SCHEMBL23530692

SCHEMBL23530692

Cc1cc(C)n2cc(CNC(=O)Oc3cc(Cl)nc4c(C5CC5)cnn34)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.33
▸ HPGD P15428 2/20 0.32
▸ METTL3 Q86U44 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL23530747 0.89 ALOX5 (0.31) KLKB1HPGD
SCHEMBL23530871 0.89 RAB9A (0.39) KLKB1METTL3KDM4EPOLB
SCHEMBL23531003 0.84 KLKB1 (0.40) KLKB1METTL3KDM4EALDH1A1POLB
SCHEMBL23530583 0.83 KLKB1 (0.43) KLKB1METTL3
SCHEMBL23530882 0.83 KLKB1 (0.36) KLKB1HPGDMETTL3KDM4EALDH1A1
SCHEMBL23530741 0.82 KCNN3 (0.35) KLKB1KDM4EALDH1A1
SCHEMBL23530958 0.82 KLKB1 (0.35) KLKB1METTL3
SCHEMBL23530932 0.81 RBP4 (0.33) KLKB1HPGDMETTL3KDM4EALDH1A1
SCHEMBL23531012 0.80 KLKB1 (0.34) KLKB1HPGDMETTL3KDM4EALDH1A1
SCHEMBL23530805 0.80 KDM4E (0.49) HPGDMETTL3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122745-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2021-06-24 — — WO disclosed
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