SCHEMBL27124026

SCHEMBL27124026

CC1CN(c2nnc3cnc4ccc(-c5ccc(OCCCN(C)C)c(Br)c5)cc4n23)C[C@H](C)N1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 17/20 0.49
▸ PRKDC P78527 7/20 0.49
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATR Q13535 5/20 0.35
▸ ATRIP Q8WXE1 5/20 0.35
▸ MTOR P42345 7/20 0.35
▸ PIK3CB P42338 5/20 0.35
▸ SERPINA2 P20848 1/20 0.35
▸ PIK3CA P42336 6/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34

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
SCHEMBL21541906 1.00 ATM (0.49) ATMPRKDCCYP1A2CYP2D6CYP2C19
SCHEMBL21541770 0.90 ATM (0.49) ATMPRKDCATRATRIPMTOR
SCHEMBL27124075 0.90 ATM (0.49) ATMPRKDCATRATRIPMTOR
SCHEMBL27123627 0.90 ATM (0.49) ATMPRKDCATRATRIPMTOR
SCHEMBL21541824 0.90 ATM (0.49) ATMPRKDCATRATRIPMTOR
SCHEMBL21541829 0.88 ATM (0.63) ATMPRKDCATRMTORPIK3CB
SCHEMBL27129299 0.88 ATM (0.63) ATMPRKDCATRMTORPIK3CB
SCHEMBL21541736 0.88 ATM (0.50) ATMPRKDCATRATRIPMTOR
SCHEMBL20374560 0.88 ATM (0.50) ATMPRKDCATRATRIPMTOR
SCHEMBL21541756 0.88 ATM (0.48) ATMPRKDCATRATRIPMTOR

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 disclosed
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