SCHEMBL31338381

SCHEMBL31338381

Cc1nc(C2CCOCC2)n2c1cnc1ccc(-c3ccc(N4CCC(N(C)C)CC4)c(C(F)(F)F)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 17/20 0.57
▸ PIK3CB P42338 13/20 0.57
▸ ATR Q13535 13/20 0.57
▸ ATRIP Q8WXE1 13/20 0.57
▸ ATM Q13315 10/20 0.57
▸ MTOR P42345 4/20 0.57
▸ CSF1R P07333 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ NOTUM Q6P988 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
SCHEMBL23093855 0.91 PRKDC (0.58) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093828 0.90 PRKDC (0.59) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093880 0.90 PRKDC (0.57) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093843 0.89 PRKDC (0.58) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093864 0.88 PRKDC (0.55) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541738 0.87 PRKDC (0.61) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093849 0.83 CSF1R (0.40) PRKDCPIK3CBATRATRIPATM
SCHEMBL23093837 0.79 ATM (0.57) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541743 0.78 PRKDC (0.47) PRKDCPIK3CBATRATRIPATM
SCHEMBL21541755 0.77 PRKDC (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215050-A Application of substituted imidazoquinoxaline compound in preparation of anti-cancer drugs 上海瑛派药业有限公司 2024-12-31 — — CN disclosed
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