SCHEMBL6963615

SCHEMBL6963615

CCC(=O)Oc1ccc2c(c1)C(C)N(c1nc(Nc3ccc(F)cc3)nc(C)c1C)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
MARK3 P27448 1/20 0.34
EGFR P00533 6/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
PRKACG P22612 1/20 0.33

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
SCHEMBL6956604 0.94 KMT2A (0.35) KMT2AMAPTTP53MARK3EGFR
SCHEMBL6955926 0.92 P2RX3 (0.34) KMT2AMAPTTP53MARK3EGFR
SCHEMBL6963612 0.92 KMT2A (0.35) KMT2AMAPTTP53MARK3EGFR
SCHEMBL6966508 0.91 KMT2A (0.37) KMT2AMAPTTP53MARK3EGFR
SCHEMBL6960905 0.90 KMT2A (0.35) KMT2AMARK3EGFRNPSR1HTR1A
SCHEMBL6962677 0.89 SLC2A1 (0.40) KMT2AMAPTEGFRNPSR1FYN
SCHEMBL6957217 0.89 KMT2A (0.35) KMT2AMAPTTP53MARK3EGFR
Hydrochloric Acid SCHEMBL6960858 0.88 ATM (0.35) KMT2AMAPTSMN1; SMN2MAPK1KDR
SCHEMBL6961325 0.88 IGF1R (0.34) KMT2AMAPTMARK3EGFRNPSR1
SCHEMBL6969924 0.88 KMT2A (0.35) KMT2AMAPTTP53MARK3EGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed