SCHEMBL29246271

SCHEMBL29246271

COc1cccc(Cn2ccc3c(Cl)ncnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.51
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
TPH1 P17752 1/20 0.49
YTHDC1 Q96MU7 1/20 0.47
SLC2A1 P11166 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR4 P22455 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL30910333 1.00 LPO (0.51) LPOTP53MAPTLMNATPH1
SCHEMBL29246485 0.89 ABL1 (0.47) LPOMAPTLMNATPH1FGFR1
SCHEMBL5460397 0.86 ABL1 (0.57) TP53MAPTLMNATPH1FGFR1
Bicarbonate SCHEMBL28413960 0.83 TPH1 (0.67) TP53MAPTLMNATPH1FGFR1
SCHEMBL17507859 0.81 FGFR1 (0.49) MAPTLMNATPH1FGFR1FGFR4
SCHEMBL3541053 0.81 NOTUM (0.58) FGFR1FGFR4MEN1KMT2A
SCHEMBL31632948 0.81 FGFR1 (0.53) MAPTSLC2A1FGFR1FGFR4THRB
SCHEMBL3393621 0.81 SLC2A1 (0.58) LPOTP53MAPTLMNATPH1
SCHEMBL5458724 0.81 YTHDC1 (0.61) TP53YTHDC1FGFR1FGFR4RXFP1
SCHEMBL19599016 0.77 FGFR1 (0.48) TP53TPH1FGFR1FGFR4ALDH1A1

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-117865965-B Pyrrolopyrimidine-4-amine and pyrazolopyrimidine-4-amine derivatives, preparation method and application thereof 贵州省天然产物研究中心 2024-06-28 CN disclosed