SCHEMBL30359502

SCHEMBL30359502

CNC1CCN(c2ccc(-c3ccc4ncc5nnc(CN6CCOCC6)n5c4c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 18/20 0.45
▸ ATR Q13535 15/20 0.45
▸ ATRIP Q8WXE1 15/20 0.45
▸ ATM Q13315 10/20 0.45
▸ PIK3CB P42338 15/20 0.44
▸ MTOR P42345 6/20 0.42
▸ SERPINA2 P20848 3/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL21541775 1.00 PRKDC (0.45) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541839 0.88 PRKDC (0.45) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541726 0.84 SLC16A3 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL21541900 0.84 PRKDC (0.65) PRKDCATRATRIPATMPIK3CB
SCHEMBL30359440 0.84 PRKDC (0.65) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541809 0.80 PRKDC (0.42) PRKDCATRATRIPATMPIK3CB
SCHEMBL30359523 0.76 SMG1 (0.38) MTOR
SCHEMBL30359500 0.76 PRKDC (0.62) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541771 0.76 PRKDC (0.62) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541748 0.75 ATM (0.56) PRKDCATRATRIPATMPIK3CB

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
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN disclosed
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