SCHEMBL30839669

SCHEMBL30839669

CC(C)c1c(=O)n(C)n2c(-c3ccc(N4CCC(N(C)C)CC4)c(C(F)(F)F)c3)nc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.37
▸ TLR8 Q9NR97 2/20 0.37
▸ TLR7 Q9NYK1 2/20 0.37
▸ MTOR P42345 6/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ ATM Q13315 3/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ATR Q13535 2/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL30012567 0.77 MTOR (0.45) TLR9TLR8TLR7MTORCSF1R
SCHEMBL29217578 0.77 MTOR (0.45) TLR9TLR8TLR7MTORCSF1R
SCHEMBL30839660 0.76 PIK3CD (0.38) MTORCSF1RCDK4CDK6ATM
SCHEMBL21267237 0.67 CSF1R (0.41) CSF1RCDK4CDK6PDE3BPDE3A
SCHEMBL30012314 0.67 ATM (0.48) TLR9TLR8TLR7MTORCSF1R
SCHEMBL29217588 0.67 ATM (0.48) TLR9TLR8TLR7MTORCSF1R
SCHEMBL23294917 0.66 PIK3CA (0.36) MTORCSF1RCDK4CDK6PDE3B
SCHEMBL29217613 0.66 ATM (0.45) TLR9TLR8TLR7MTORATM
SCHEMBL30011984 0.66 ATM (0.45) TLR9TLR8TLR7MTORATM
SCHEMBL20374410 0.65 HSD11B1 (0.43) CSF1RCDK4CDK6SYKPDE3B

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-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
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