SCHEMBL26140408

SCHEMBL26140408

Cc1ccc(Oc2ccc(-c3ccc(F)cc3)nc2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GRM5 P41594 3/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPK14 Q16539 3/20 0.38
▸ AURKA O14965 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL29349922 0.87 MEN1 (0.43) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL22529957 0.87 MEN1 (0.43) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL29352030 0.85 AURKA (0.38) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL22529924 0.85 AURKA (0.38) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL22529954 0.83 HSPB1 (0.47) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL29351967 0.83 HSPB1 (0.47) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL22530094 0.76 KDM4E (0.43) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL29351821 0.76 KDM4E (0.43) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL28937050 0.75 ABL1 (0.41) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL22530943 0.74 MAPK8 (0.38) MEN1KMT2AKDM4EGRM5NPC1

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-2023079132-A1 PHARMACEUTICAL COMBINATIONS FOR TREATING CANCER CELLESTIA BIOTECH AG (CH) 2023-05-11 — — WO disclosed
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