SCHEMBL25647778

SCHEMBL25647778

COc1ccc(CNc2nccc3c2c(C2CCCCC(C(C)CC4CCCCCCCCCC4)CCC2)nn3[C@@H]2C=CC[C@@H](C(=O)OCc3ccccc3)C2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 5/20 0.31
▸ TSHR P16473 4/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ F2 P00734 2/20 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
SCHEMBL25647779 0.83 KMT2A (0.36) TPH1MAPTKMT2AMEN1ALDH1A1
SCHEMBL31125830 0.83 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL25647777 0.83 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL25647817 0.77 KMT2A (0.35) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL25227405 0.74 BTK (0.40) —
SCHEMBL30449660 0.74 BTK (0.40) —
SCHEMBL25647843 0.74 PDE9A (0.36) TPH1MAPTKMT2AMEN1CYP1A2
SCHEMBL25270502 0.73 KDM4C (0.38) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL30497641 0.73 KDM4C (0.38) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL25647818 0.73 KMT2A (0.35) MAPTKMT2AMEN1TSHRCTSD

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-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
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