SCHEMBL27128074

SCHEMBL27128074

CC1CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(Br)c5)cc4n23)C[C@H](C)N1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 17/20 0.38
▸ PRKDC P78527 17/20 0.38
▸ ATRIP Q8WXE1 15/20 0.38
▸ ATM Q13315 11/20 0.38
▸ PIK3CB P42338 15/20 0.37
▸ MTOR P42345 7/20 0.36
▸ SERPINA2 P20848 3/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MET P08581 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL21541776 1.00 ATR (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541720 0.91 ATR (0.40) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541724 0.90 PRKDC (0.40) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541791 0.89 ATR (0.39) ATRPRKDCATRIPATMPIK3CB
SCHEMBL27124103 0.89 ATR (0.39) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541861 0.88 PRKDC (0.44) ATRPRKDCATRIPATMPIK3CB
SCHEMBL27127196 0.82 ATR (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541741 0.82 ATR (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541901 0.81 PRKDC (0.38) ATRPRKDCATRIPATMPIK3CB
SCHEMBL21541718 0.81 ATR (0.37) ATRPRKDCATRIPATMPIK3CB

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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