SCHEMBL31455244

SCHEMBL31455244

COC(=O)C(C)C1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 2/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
JAK2 O60674 2/20 0.41
SYK P43405 1/20 0.41
TSHR P16473 1/20 0.40
PTK2 Q05397 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
MCHR1 Q99705 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL31455198 0.87 SIGMAR1 (0.41) CYP2C9CYP2D6BCHEACHESIGMAR1
SCHEMBL31455311 0.84 DRD2 (0.46) BCHEACHESIGMAR1JAK2SYK
SCHEMBL31455090 0.76 LTA4H (0.47) JAK2SYKGAAMAPTHPGD
SCHEMBL31455293 0.73 AKT1 (0.59) CYP2C9CYP2D6CYP2C19CYP3A4
SCHEMBL31455206 0.72 CHRM2 (0.38) JAK2SYKMCHR1
SCHEMBL31455328 0.71 DRD4 (0.44) BCHEACHESIGMAR1JAK2SYK
SCHEMBL31455169 0.71 ABCG2 (0.61) KDM4EGAAMAPTHPGDSMN1; SMN2
SCHEMBL31455366 0.70 ALDH1A1 (0.61) TSHRKDM4EMAPTHPGDHTT
SCHEMBL31455172 0.70 LTA4H (0.36) CYP2D6JAK2CYP2C19MCHR1MAPT
SCHEMBL6750641 0.70 OPRM1 (0.54) CYP2C9CYP2D6BCHEACHESIGMAR1

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