SCHEMBL31363365

SCHEMBL31363365

O=C(O)c1cc(I)cc2c1NCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ CSNK1A1 P48729 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FGFR1 P11362 1/20 0.35

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
SCHEMBL9178074 0.92 KDM4E (0.44) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL17802200 0.81 MAPT (0.36) KDM4EMAPTALDH1A1PARP1
SCHEMBL9471242 0.79 AKR1C3 (0.42) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL9179945 0.75 KDM4E (0.55) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL9470708 0.74 MAPT (0.43) MAPTALDH1A1ADRA2APNMTMAOB
SCHEMBL3945745 0.73 KDM4E (0.43) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL3949652 0.73 KDM4E (0.43) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL3950860 0.73 KDM4E (0.43) KDM4EDYRK1AMAPTALDH1A1HPGD
SCHEMBL9175444 0.73 KDM4E (0.43) KDM4EMAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL4035775 0.73 KDM4E (0.43) KDM4EMAPK8CSNK1A1LIMK1PRKAA1

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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