SCHEMBL25048047

SCHEMBL25048047

Nc1nc(Cl)nc2c1c(-c1nc(Cc3ccccc3)cs1)cn2C1CCC(C2CCN(CCF)CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.33
▸ DRD2 P14416 4/20 0.32
▸ DRD4 P21917 4/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ABL1 P00519 3/20 0.31
▸ EGFR P00533 3/20 0.31
▸ ABL2 P42684 3/20 0.31
▸ SRC P12931 3/20 0.31
▸ LCK P06239 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ BTK Q06187 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
SCHEMBL25048943 0.91 C1S (0.35) C1SDRD2DRD4DRD3KCNH2
SCHEMBL25047567 0.91 C1S (0.36) C1SDRD2DRD4DRD3KCNH2
SCHEMBL25047579 0.89 EGFR (0.36) C1SDRD2DRD4DRD3KCNH2
SCHEMBL25048024 0.87 SRC (0.35) C1SABL1EGFRABL2SRC
SCHEMBL25048632 0.86 KCNH2 (0.34) C1SDRD2DRD4DRD3KCNH2
SCHEMBL25048044 0.85 C1S (0.31) C1SDRD2DRD4DRD3
SCHEMBL31617955 0.85 C1S (0.31) C1SDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30941458 0.85 C1S (0.31) C1SDRD2DRD4DRD3
SCHEMBL25049217 0.83 C1S (0.36) C1SKCNH2ABL1EGFRABL2
SCHEMBL25048727 0.82 SRC (0.35) C1SABL1EGFRABL2SRC

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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