SCHEMBL30359433

SCHEMBL30359433

CCNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)O[C@@H](C)C6)n5c4c3)cc2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 17/20 0.38
▸ PIK3CB P42338 15/20 0.38
▸ ATR Q13535 15/20 0.37
▸ ATRIP Q8WXE1 15/20 0.37
▸ ATM Q13315 10/20 0.37
▸ MTOR P42345 6/20 0.35
▸ SERPINA2 P20848 4/20 0.34
▸ MET P08581 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL21541913 1.00 PRKDC (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541778 0.91 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL30359413 0.91 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541715 0.91 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL30359425 0.91 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL27124019 0.91 PRKDC (0.37) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541827 0.88 MET (0.36) METHDAC1HDAC8HDAC6
SCHEMBL30359441 0.88 MET (0.36) METHDAC1HDAC8HDAC6
SCHEMBL21541730 0.87 PRKDC (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541852 0.82 PRKDC (0.39) PRKDCPIK3CBATRATRIPATM

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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