SCHEMBL4735709

SCHEMBL4735709

COc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.37
▸ SIRT1 Q96EB6 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ HTR2A P28223 8/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ TAAR1 Q96RJ0 3/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AXL P30530 1/20 0.30

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
SCHEMBL16296825 0.81 EGFR (0.42) EGFRCSF1R
SCHEMBL28693060 0.80 EGFR (0.40) EGFR
SCHEMBL16385172 0.79 EGFR (0.38) EGFRTSHRTAAR1CSF1RKDM4E
SCHEMBL2563499 0.78 EGFR (0.37) EGFRSIRT1GRIN2DGRIN3BGRIN1
SCHEMBL28598599 0.78 EGFR (0.44) EGFRHTR2AHTR2CTAAR1HTR2B
SCHEMBL21823500 0.78 ENPP1 (0.40) EGFRTSHRKDM4E
SCHEMBL13872636 0.77 EGFR (0.42) EGFRTSHRCSF1R
SCHEMBL17752331 0.77 EGFR (0.45) EGFRTSHRHTR2AHTR2CTAAR1
SCHEMBL27191881 0.76 EGFR (0.38) EGFRTSHRTAAR1CSF1RLMNA
SCHEMBL31118339 0.75 EGFR (0.44) EGFRTSHRHTR2AHTR2CTAAR1

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
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
Send feedback