SCHEMBL25047889

SCHEMBL25047889

Nc1nc(Cl)nc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H](C2CCN(CC3CCCC3)CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.32
▸ INSR P06213 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ LCK P06239 2/20 0.31
▸ LYN P07948 2/20 0.31
▸ KIT P10721 2/20 0.31
▸ FGFR1 P11362 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ FLT1 P17948 2/20 0.31
▸ FLT4 P35916 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ FLT3 P36888 2/20 0.31
▸ ERBB4 Q15303 2/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 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
SCHEMBL25047787 0.97 DRD2 (0.33) IGF1RINSRKCNH2CNR1DRD2
Hydrochloric Acid SCHEMBL30941307 0.96 KCNH2 (0.32) IGF1RINSRKCNH2CNR1DRD2
SCHEMBL31618049 0.91 CNR1 (0.36) KCNH2CNR1DRD2DRD4DRD3
SCHEMBL30941197 0.91 CNR1 (0.36) KCNH2CNR1DRD2DRD4DRD3
SCHEMBL25047574 0.91 CNR1 (0.36) KCNH2CNR1DRD2DRD4DRD3
SCHEMBL25047576 0.91 CNR1 (0.36) KCNH2CNR1DRD2DRD4DRD3
SCHEMBL25047793 0.91 C1S (0.33) DRD2DRD4DRD3C1SCA2
SCHEMBL25049338 0.89 CA2 (0.32) DRD2DRD4DRD3C1SCA2
SCHEMBL25048044 0.89 C1S (0.31) DRD2DRD4DRD3C1SCA2
SCHEMBL31617955 0.89 C1S (0.31) DRD2DRD4DRD3C1SCA2

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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