SCHEMBL25048002

SCHEMBL25048002

CC(=O)N1CCC(c2cn([C@H]3CC[C@@H](CNCCCNCCc4ccccc4)C3)c3ncnc(N)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.42
▸ KIF5B P33176 6/20 0.42
▸ IGF1R P08069 3/20 0.42
▸ EGFR P00533 3/20 0.41
▸ ABL1 P00519 3/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ KDR P35968 5/20 0.40
▸ BTK Q06187 1/20 0.39
▸ SRC P12931 6/20 0.38
▸ HCK P08631 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ ADCY5 O95622 1/20 0.38
▸ LCK P06239 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CCDC6 Q16204 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ BLK P51451 1/20 0.37

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
SCHEMBL25048490 0.91 ABL1 (0.43) RETIGF1REGFRABL1ABL2
SCHEMBL25047518 0.91 ABL1 (0.44) RETIGF1REGFRABL1ABL2
SCHEMBL25048000 0.90 METTL3 (0.44) RETKIF5BIGF1REGFRABL1
SCHEMBL30940806 0.86 METTL3 (0.47) RETKIF5B
SCHEMBL25048880 0.86 METTL3 (0.47) RETKIF5B
SCHEMBL25048005 0.80 ABL1 (0.43) RETIGF1REGFRABL1ABL2
SCHEMBL25047965 0.79 ABL1 (0.54) RETKIF5BIGF1REGFRABL1
SCHEMBL25048887 0.77 METTL3 (0.49) —
SCHEMBL30941129 0.77 METTL3 (0.49) —
SCHEMBL25047988 0.77 EGFR (0.46) IGF1REGFRABL1ABL2KDR

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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