SCHEMBL25080270

SCHEMBL25080270

CC(C)n1ncc2c(N3CCOC[C@H]3C)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 18/20 0.48
▸ ATR Q13535 2/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ RICTOR Q6R327 1/20 0.40
▸ RPTOR Q8N122 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAPKAP1 Q9BPZ7 1/20 0.40
▸ MLST8 Q9BVC4 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
SCHEMBL25080308 0.88 MTOR (0.42) MTORATRATRIPPIK3CDPIK3R1
SCHEMBL24809858 0.87 ATR (0.45) MTORATRATRIPPIK3CDPIK3R1
SCHEMBL24811649 0.86 ATR (0.44) MTORATRATRIPPIK3CA
SCHEMBL24811148 0.85 PDE2A (0.48) MTORATRATRIP
SCHEMBL24811116 0.83 ATR (0.44) MTORATRATRIPPIK3CA
SCHEMBL16058862 0.81 SMN1; SMN2 (0.47) MTORPIK3CA
SCHEMBL25287137 0.80 ATR (0.61) MTORATRATRIPPIK3CA
SCHEMBL25080627 0.80 MTOR (0.46) MTORATRATRIPPIK3CA
SCHEMBL25287138 0.80 ATR (0.61) MTORATRATRIPPIK3CA
SCHEMBL25080301 0.80 MTOR (0.46) MTORATRATRIPPIK3CA

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-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 — — WO disclosed
Send feedback