SCHEMBL30230970

SCHEMBL30230970

Cn1ncc(Cl)c1-c1ccc(N)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
LTA4H P09960 1/20 0.41
MAP4K4 O95819 2/20 0.40
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
ATM Q13315 1/20 0.39
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
AKT1 P31749 2/20 0.36
BRD4 O60885 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30230864 0.81 NOS3 (0.42) PIK3CDLTA4HMAP4K4CYP1A2KCNH2
SCHEMBL31306313 0.81 BPTF (0.42) AKT1USP2TP53MAPK1MEN1
SCHEMBL30231000 0.80 PIK3CD (0.49) PIK3CDMAP4K4ATMNOS3NOS2
SCHEMBL30231060 0.78 PIK3CD (0.45) PIK3CDMAP4K4ATMNOS3NOS2
SCHEMBL13683160 0.74 PIK3CD (0.46) PIK3CDLTA4HMAP4K4CYP1A2KCNH2
SCHEMBL30231058 0.70 ATM (0.42) PIK3CDLTA4HMAP4K4ATMNOS3
SCHEMBL30231174 0.70 ATM (0.48) PIK3CDLTA4HMAP4K4CYP1A2KCNH2
SCHEMBL11908832 0.70 PDE2A (0.48) PIK3CDCYP1A2ATMMEN1KMT2A
SCHEMBL19140288 0.69 PIK3CD (0.41) PIK3CDLTA4HMAP4K4CYP1A2KCNH2
SCHEMBL17796572 0.69 CYP1A2 (0.47) PIK3CDLTA4HMAP4K4CYP1A2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed