SCHEMBL25047634

SCHEMBL25047634

NCC1CCC(n2cc(-c3nccs3)c3c(N)nc(Cl)nc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.39
▸ RET P07949 2/20 0.33
▸ ABL1 P00519 3/20 0.32
▸ EGFR P00533 2/20 0.32
▸ ABL2 P42684 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ NPM1 P06748 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ BCR P11274 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
SCHEMBL25048615 0.82 ADK (0.37) ADKABL1EGFRABL2FGFR1
SCHEMBL25048408 0.81 ACACB (0.35) ADKFGFR1SRCFGFR4JAK2
SCHEMBL25049217 0.80 C1S (0.36) RETABL1EGFRABL2FGFR1
SCHEMBL25047624 0.79 ADK (0.44) ADK
Hydrochloric Acid SCHEMBL30940819 0.78 ADK (0.43) ADK
SCHEMBL25048068 0.78 ADK (0.33) ADKCHKA
SCHEMBL25048354 0.77 METTL3 (0.38) RET
SCHEMBL25048046 0.76 PRCP (0.34) ADKABL1EGFRABL2SRC
SCHEMBL25048360 0.76 RIPK2 (0.30) RIPK2
SCHEMBL25048919 0.73 ADK (0.50) ADKRETABL1EGFRABL2

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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