SCHEMBL7889654

SCHEMBL7889654

CC(C)(C)C(=O)Nc1nc(O)c2c(Br)c[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.37
F2 P00734 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDGFRB P09619 2/20 0.36
KDR P35968 5/20 0.35
EGFR P00533 4/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL14547760 0.84 ADORA1 (0.40) ADORA1MEN1KMT2AMAPTF2
SCHEMBL9258260 0.83 ADORA1 (0.40) ADORA1MEN1KMT2AMAPTF2
SCHEMBL9255608 0.80 MEN1 (0.38) ADORA1MEN1KMT2AMAPTF2
SCHEMBL9247529 0.78 ADORA1 (0.36) ADORA1MEN1KMT2AMAPTF2
SCHEMBL19994265 0.72 KDR (0.43) ADORA1MEN1KMT2AMAPTF2
SCHEMBL14547909 0.72 MEN1 (0.43) ADORA1MEN1KMT2AMAPTF2
SCHEMBL3801893 0.71 ADORA1 (0.44) ADORA1MEN1KMT2AMAPTF2
SCHEMBL312171 0.71 CHEK1 (0.44) ADORA1MEN1KMT2AMAPTF2
SCHEMBL31507834 0.71 CHEK1 (0.44) ADORA1MEN1KMT2AMAPTF2
SCHEMBL16316421 0.69 ADORA1 (0.56) ADORA1MEN1KMT2AMAPTF2

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-0576211-B1 Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates LILLY CO ELI (US) 2001-08-22 EP disclosed
EP-0576211-A2 Process for the synthesis of 4-hydroxy-5-halopyrrolo 2,3-D pyrimidine intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed
US-5235053-A Process for the synthesis of 4-hydroxy-5-halopyrrold[2,3-d]pyrimidine intermediates ELI LILLY AND COMPANY (US) 1993-08-10 US disclosed