SCHEMBL27129299

SCHEMBL27129299

CC1CN(c2nnc3cnc4ccc(-c5ccc(OCCCN(C)C)nc5)cc4n23)C[C@H](C)N1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.63
▸ PRKDC P78527 3/20 0.63
▸ PIK3CA P42336 11/20 0.46
▸ MTOR P42345 11/20 0.46
▸ PIK3CD O00329 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ ATR Q13535 3/20 0.44
▸ PIK3CG P48736 1/20 0.44

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
SCHEMBL21541829 1.00 ATM (0.63) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL20374560 0.90 ATM (0.50) ATMPRKDCPIK3CAMTORPIK3CB
SCHEMBL21541736 0.90 ATM (0.50) ATMPRKDCPIK3CAMTORPIK3CB
SCHEMBL27124075 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL21541906 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL27124026 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL21541824 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CB
SCHEMBL21541770 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CD
SCHEMBL27123627 0.88 ATM (0.49) ATMPRKDCPIK3CAMTORPIK3CB
SCHEMBL23093868 0.88 ATM (0.54) ATMPRKDCPIK3CAMTORPIK3CD

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
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP claimed
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