SCHEMBL30359438

SCHEMBL30359438

CCNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)N(C)[C@@H](C)C6)n5c4c3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 19/20 0.38
▸ ATR Q13535 16/20 0.38
▸ ATRIP Q8WXE1 16/20 0.38
▸ ATM Q13315 11/20 0.38
▸ PIK3CB P42338 16/20 0.37
▸ MTOR P42345 8/20 0.36
▸ SERPINA2 P20848 6/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ WDR5 P61964 1/20 0.32

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
SCHEMBL21541719 1.00 PRKDC (0.38) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541757 0.91 PRKDC (0.40) PRKDCATRATRIPATMPIK3CB
SCHEMBL27123798 0.91 PRKDC (0.40) PRKDCATRATRIPATMPIK3CB
SCHEMBL30359436 0.91 PRKDC (0.40) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541715 0.91 PRKDC (0.37) PRKDCATRATRIPATMPIK3CB
SCHEMBL30359425 0.91 PRKDC (0.37) PRKDCATRATRIPATMPIK3CB
SCHEMBL27124019 0.91 PRKDC (0.37) PRKDCATRATRIPATMPIK3CB
SCHEMBL21541801 0.88 FFAR4 (0.34) WDR5
SCHEMBL30359401 0.88 FFAR4 (0.34) WDR5
SCHEMBL21541724 0.86 PRKDC (0.40) 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 2 patents. 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 claimed
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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