SCHEMBL30895755

SCHEMBL30895755

Cc1c(Cl)nnc(N[C@@H]2CCCC[C@H]2O)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ STK17B O94768 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ CA12 O43570 1/20 0.31

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
SCHEMBL31679495 0.79 KCNH2 (0.35) KCNH2NLRP3MAPK8
SCHEMBL30895758 0.78 NLRP3 (0.68) KCNH2NLRP3CACNA1B
SCHEMBL30895753 0.77 POLB (0.43) POLBMAPK1ATMGFERKDM4E
SCHEMBL22535987 0.66 TDP1 (0.46) POLBMAPK1ATMEPHX1GFER
SCHEMBL1670964 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2
SCHEMBL21423769 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2
SCHEMBL1542182 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2
SCHEMBL741312 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2
SCHEMBL1542181 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2
SCHEMBL20178496 0.66 BTK (0.47) EPHX1L3MBTL1CA1CA2

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-2024090469-A1 FUSED PYRIDAZINE DERIVATIVE アステラス製薬株式会社 2024-05-02 — — WO disclosed
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