SCHEMBL25048919

SCHEMBL25048919

Nc1ncnc2c1c(-c1nccs1)cn2[C@H]1CCC(CC2CNC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.50
▸ SRC P12931 16/20 0.43
▸ EGFR P00533 6/20 0.43
▸ ABL1 P00519 6/20 0.43
▸ ABL2 P42684 5/20 0.43
▸ RET P07949 2/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ NPM1 P06748 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ FGFR1 P11362 1/20 0.40

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
SCHEMBL30941267 0.81 ADK (0.54) ADKSRCEGFRABL1ABL2
SCHEMBL25049361 0.81 ADK (0.54) ADKSRCEGFRABL1ABL2
SCHEMBL25048564 0.80 RIPK2 (0.44) ADKSRCEGFRABL1ABL2
SCHEMBL25048035 0.77 ADK (0.47) ADKSRCEGFRABL1ABL2
SCHEMBL25048562 0.75 ADK (0.44) ADKSRCEGFRABL1ABL2
SCHEMBL25047634 0.73 ADK (0.39) ADKSRCEGFRABL1ABL2
SCHEMBL25046627 0.72 ADK (0.45) ADKSRCEGFRABL1ABL2
SCHEMBL25046789 0.70 ADK (0.55) ADKSRCEGFRABL1ABL2
SCHEMBL30941042 0.70 ADK (0.55) ADKSRCEGFRABL1ABL2
SCHEMBL25048027 0.70 ADK (0.42) ADKSRCEGFRABL1ABL2

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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