SCHEMBL31455311

SCHEMBL31455311

COC(=O)CC1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
ACHE P22303 3/20 0.43
POLB P06746 1/20 0.42
SYK P43405 2/20 0.42
JAK2 O60674 1/20 0.42
LTA4H P09960 1/20 0.41
BCHE P06276 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL31455328 0.86 DRD4 (0.44) DRD2DRD4ACHEPOLBSYK
SCHEMBL31455244 0.84 CYP2C9 (0.43) ACHESYKJAK2BCHESIGMAR1
SCHEMBL31455090 0.77 LTA4H (0.47) SYKJAK2LTA4HMAPT
SCHEMBL2980930 0.77 DRD2 (0.67) DRD2DRD4ACHELTA4HBCHE
SCHEMBL31455206 0.73 CHRM2 (0.38) SYKJAK2
SCHEMBL25385310 0.72 ABCG2 (0.61) MAPT
SCHEMBL31455169 0.72 ABCG2 (0.61) MAPT
SCHEMBL8714606 0.72 POLB (0.49) DRD2DRD4ACHEPOLBLTA4H
SCHEMBL31455366 0.72 ALDH1A1 (0.61) MAPT
SCHEMBL31455172 0.71 LTA4H (0.36) JAK2LTA4HMAPT

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