SCHEMBL25048632

SCHEMBL25048632

Nc1nc(Cl)nc2c1c(-c1nc(Cc3ccccc3)cs1)cn2C1CCC(C2CCN(CC3CCOC3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.34
▸ CNR1 P21554 10/20 0.34
▸ INSR P06213 3/20 0.33
▸ IGF1R P08069 3/20 0.33
▸ LCK P06239 3/20 0.32
▸ SRC P12931 3/20 0.32
▸ BTK Q06187 3/20 0.32
▸ LYN P07948 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ FLT4 P35916 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ERBB4 Q15303 2/20 0.32
▸ TEK Q02763 2/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL25049346 0.89 KCNH2 (0.36) KCNH2CNR1INSRIGF1RLCK
SCHEMBL25048943 0.87 C1S (0.35) KCNH2INSRIGF1RLCKSRC
SCHEMBL30941197 0.86 CNR1 (0.36) KCNH2CNR1CYP1A1CYP2C8CYP2D6
SCHEMBL31618049 0.86 CNR1 (0.36) KCNH2CNR1CYP1A1CYP2C8CYP2D6
SCHEMBL25047576 0.86 CNR1 (0.36) KCNH2CNR1CYP1A1CYP2C8CYP2D6
SCHEMBL25047574 0.86 CNR1 (0.36) KCNH2CNR1CYP1A1CYP2C8CYP2D6
SCHEMBL25048047 0.86 C1S (0.33) KCNH2LCKSRCBTKEGFR
SCHEMBL25047567 0.85 C1S (0.36) KCNH2INSRIGF1RLCKSRC
SCHEMBL25048024 0.83 SRC (0.35) IGF1RLCKSRCKDRTEK
SCHEMBL25047579 0.82 EGFR (0.36) KCNH2IGF1RLCKSRCFGFR1

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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