SCHEMBL8201301

SCHEMBL8201301

CC(C)C(=O)Nc1c(Cl)ncnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
FGFR4 P22455 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 3/20 0.38
MDM4 O15151 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM4 Q14833 1/20 0.38
TYK2 P29597 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8592515 0.88 FGFR1 (0.41) FGFR1FGFR4SMN1; SMN2NPSR1CCNE1
SCHEMBL8174616 0.88 FGFR1 (0.41) FGFR1FGFR4SMN1; SMN2NPSR1CCNE1
SCHEMBL7396461 0.78 TYK2 (0.42) FGFR1FGFR4SMN1; SMN2NPSR1CCNE1
SCHEMBL16593729 0.75 ADORA3 (0.36) FGFR1FGFR4SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18076620 0.73 KDM4E (0.51) FGFR1FGFR4SMN1; SMN2NPSR1CCNE1
SCHEMBL28263318 0.73 L3MBTL1 (0.47) FGFR4SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL27409347 0.72 FGFR1 (0.40) FGFR1FGFR4SMN1; SMN2CCNE1CDK2
SCHEMBL8166609 0.72 NPSR1 (0.37) NPSR1CCNE1CDK2CDK5KMT2A
SCHEMBL12780363 0.71 CXCL8 (0.49) SMN1; SMN2KMT2AMEN1TP53MDM4
SCHEMBL19869621 0.69 FFAR1 (0.42) FGFR1FGFR4SMN1; SMN2NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040447-A REACTING A HALOGENATED AMINO PYRIMIDINE COMPOUND WITH ACID ANHYDRIDE OR ACID HALIDE TO FORM AN INTERMEDIATE, TRANSFORMING THE 6-HALO GROUP OF THE INTERMEDIATE TO AN AMINE BY DISPLACEMENT WITH AMMONIA, CYCLIZING WITH A BASE EURO-CELTIQUE S.A. 2000-03-21 US disclosed
WO-1999031103-A1 PREPARATION OF 3-SUBSTITUTED ADENINES EURO-CELTIQUE S.A. (LU) 1999-06-24 WO disclosed