SCHEMBL30359499

SCHEMBL30359499

O=C1COCCN1Cc1nnc2cnc3ccc(Br)cc3n12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ PRKDC P78527 14/20 0.34
▸ ATR Q13535 14/20 0.34
▸ ATRIP Q8WXE1 14/20 0.34
▸ PIK3CB P42338 13/20 0.34
▸ ATM Q13315 8/20 0.34
▸ MTOR P42345 6/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ SERPINA2 P20848 3/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL21541910 0.83 PRKDC (0.39) PRKDCATRATRIPPIK3CBATM
SCHEMBL3994597 0.68 SMN1; SMN2 (0.48) CYP11B2CYP11B1GRM2
SCHEMBL20374457 0.67 PRKDC (0.67) PRKDCATRATRIPPIK3CBATM
SCHEMBL23269469 0.67 KMT2A (0.46) GRM2
SCHEMBL797783 0.66 NPM1 (0.42) PRKDCATRATRIPPIK3CBATM
SCHEMBL14247892 0.65 TLR8 (0.40) PIK3CBGRM2
SCHEMBL16196348 0.64 CYP11B2 (0.51) MTORCYP11B2CYP11B1GRM2
SCHEMBL796862 0.64 PRKDC (0.55) PRKDCATRATRIPPIK3CBATM
SCHEMBL2463549 0.63 HTT (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL20037864 0.62 CYP11B2 (0.41) MTORCYP11B2CYP11B1GRM2

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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