SCHEMBL31455018

SCHEMBL31455018

Cc1cc(N)c(Nc2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.42
NAMPT P43490 1/20 0.40
JAK2 O60674 6/20 0.40
JAK3 P52333 5/20 0.40
PTK2 Q05397 2/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
IGF1R P08069 1/20 0.39
USP30 Q70CQ3 2/20 0.38
BACE1 P56817 1/20 0.38
JAK1 P23458 3/20 0.38
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
RORC P51449 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 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
SCHEMBL31455299 0.86 SLC34A1 (0.40) SLC34A1NAMPTJAK2JAK3PTK2
SCHEMBL31420326 0.74 NAMPT (0.40) NAMPTJAK2JAK3PTK2USP30
SCHEMBL31455508 0.73 MEN1 (0.39) SLC34A1NAMPTJAK3IGF1RLCK
SCHEMBL17111788 0.72 CKS1B (0.47) CKS1BSKP1SKP2USP30RORC
SCHEMBL10289613 0.72 NR1H2 (0.49) NAMPTRORC
SCHEMBL14874076 0.72 RORC (0.59) NAMPTUSP30RORCTP53
SCHEMBL31455358 0.72 AKT1 (0.47)
SCHEMBL31455144 0.71 PDE4B (0.47) NAMPTUSP30RORC
SCHEMBL7695499 0.70 PDE10A (0.56) CKS1BSKP1SKP2USP30RORC
SCHEMBL10256994 0.69 JAK1 (0.42) SLC34A1NAMPTJAK2JAK3PTK2

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