SCHEMBL22973161

SCHEMBL22973161

CCOC(=O)CCNc1nc(N2CCN(C(C)(C)C)CC2)c2cc(Cl)c(-c3cc(OCOC)cc4ccccc34)c(F)c2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 13/20 0.55
CRBN Q96SW2 1/20 0.39
P2RY12 Q9H244 2/20 0.33
TOP2A P11388 1/20 0.33
KDM6B O15054 1/20 0.32
KDM6A O15550 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM3B Q7LBC6 1/20 0.32
TET1 Q8NFU7 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
MAPK7 Q13164 1/20 0.31

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
SCHEMBL21458502 0.92 KRAS (0.55) KRASCRBNP2RY12
SCHEMBL22973193 0.92 KRAS (0.54) KRASCRBNP2RY12TOP2AKDM6B
SCHEMBL21458892 0.84 KRAS (0.59) KRASCRBNP2RY12TOP2A
SCHEMBL30147438 0.81 KRAS (0.70) KRASCRBNP2RY12
SCHEMBL21472341 0.81 KRAS (0.66) KRASCRBN
Hydrochloric Acid SCHEMBL21458938 0.81 KRAS (0.65) KRASCRBN
SCHEMBL21458678 0.80 KRAS (0.83) KRASCRBN
SCHEMBL22973106 0.80 KRAS (0.44) KRASCRBNP2RY12TOP2AKDM6B
SCHEMBL22973189 0.77 KRAS (0.49) KRASCRBN
SCHEMBL21458454 0.76 KRAS (0.70) KRASCRBN

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
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed