SCHEMBL20045986

SCHEMBL20045986

CC(C)(C)OC(=O)N1CC(NCc2ccc(Br)cc2N)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.48
FPR2 P25090 4/20 0.45
FPR3 P25089 3/20 0.45
KRAS P01116 4/20 0.41
AAK1 Q2M2I8 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NAMPT P43490 1/20 0.39
RORC P51449 2/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SCN9A Q15858 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
SCHEMBL28566889 0.92 USP30 (0.55) USP30FPR2FPR3KRASHDAC1
SCHEMBL28566888 0.92 USP30 (0.55) USP30FPR2FPR3KRASHDAC1
SCHEMBL22716791 0.84 NAMPT (0.46) USP30HDAC1HDAC2NAMPTRORC
SCHEMBL28327682 0.82 AAK1 (0.36) USP30KRASAAK1
SCHEMBL20444527 0.81 AAK1 (0.49) USP30FPR2FPR3KRASAAK1
SCHEMBL17803256 0.81 USP30 (0.48) USP30FPR2FPR3KRAS
SCHEMBL15342503 0.78 HDAC1 (0.49) USP30FPR2FPR3KRASAAK1
SCHEMBL12801074 0.76 USP30 (0.44) USP30FPR2FPR3AAK1HDAC1
SCHEMBL21874640 0.76 GRM2 (0.40) USP30AAK1
SCHEMBL21874641 0.76 GRM2 (0.40) USP30AAK1

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-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed