SCHEMBL31455364

SCHEMBL31455364

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3N)c(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
EGFR P00533 1/20 0.41
ROS1 P08922 1/20 0.41
ALK Q9UM73 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 1/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL31454994 0.91 TNIK (0.36) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455361 0.87 ADORA1 (0.40) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455694 0.85 HDAC1 (0.46) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455411 0.85 HDAC1 (0.46) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455325 0.81 HDAC1 (0.41) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455141 0.78 POLB (0.36) EGFRROS1ALKLMNAHTT
SCHEMBL31455274 0.77 HDAC1 (0.38) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455285 0.76 HDAC2 (0.40) ADORA1ADORA3ADORA2AHDAC1HDAC2
SCHEMBL31455366 0.75 ALDH1A1 (0.61) HDAC1HDAC2HTTNPC1RAB9A
SCHEMBL31455390 0.74 HDAC2 (0.56) HDAC1HDAC2GSK3BNPC1RAB9A

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed