SCHEMBL25046737

SCHEMBL25046737

NC[C@@H]1CC[C@H](n2cc3c4c(ncnc42)NCCCC3)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 5/20 0.33
▸ ABL1 P00519 5/20 0.32
▸ EGFR P00533 4/20 0.32
▸ ABL2 P42684 3/20 0.32
▸ SRC P12931 5/20 0.32
▸ RET P07949 3/20 0.32
▸ LCK P06239 2/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ MST1R Q04912 2/20 0.32
▸ NTRK3 Q16288 2/20 0.32
▸ NTRK2 Q16620 2/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 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
SCHEMBL25049165 0.81 ADCY5 (0.35) ADCY5ABL1EGFRABL2SRC
SCHEMBL25046714 0.80 ADCY5 (0.33) ADCY5ABL1EGFRABL2SRC
SCHEMBL25049196 0.78 DRD2 (0.37) SRCIGF1R
SCHEMBL25048758 0.78 ABL1 (0.30) ABL1EGFRABL2
SCHEMBL25046735 0.77 ABL1 (0.31) ABL1EGFRABL2SRCRET
SCHEMBL25046681 0.77 FGR (0.33) ABL1EGFRABL2SRCRET
SCHEMBL30941135 0.77 METTL3 (0.38) —
SCHEMBL25048504 0.77 METTL3 (0.38) —
SCHEMBL25048764 0.75 ABL1 (0.31) ABL1EGFRABL2
SCHEMBL25047681 0.73 ADCY5 (0.33) ADCY5ABL1EGFRABL2SRC

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
Send feedback