SCHEMBL9258260

SCHEMBL9258260

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
F2 P00734 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 5/20 0.35
EGFR P00533 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.33
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
TMIGD3 P0DMS9 1/20 0.30
HTR1F P30939 1/20 0.30
USP2 O75604 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
SCHEMBL31507834 0.85 CHEK1 (0.44) ADORA1MEN1KMT2AMAPTF2
SCHEMBL312171 0.85 CHEK1 (0.44) ADORA1MEN1KMT2AMAPTF2
SCHEMBL14547760 0.84 ADORA1 (0.40) ADORA1MEN1KMT2AMAPTF2
SCHEMBL7889654 0.83 ADORA1 (0.40) ADORA1MEN1KMT2AMAPTF2
SCHEMBL9255608 0.80 MEN1 (0.38) ADORA1MEN1KMT2AMAPTF2
SCHEMBL9247529 0.78 ADORA1 (0.36) ADORA1MEN1KMT2AMAPTF2
SCHEMBL13915418 0.74 SMN1; SMN2 (0.47) ADORA1MAPTF2HSD17B10L3MBTL1
SCHEMBL14547909 0.72 MEN1 (0.43) ADORA1MEN1KMT2AMAPTF2
SCHEMBL19994265 0.72 KDR (0.43) ADORA1MEN1KMT2AMAPTF2
SCHEMBL3801893 0.71 ADORA1 (0.44) 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
US-5426187-A Process for the preparation of 4-hydroxy-5-substituted ethynylpyrrolo [2,3-d]pyrimidine intermediates ELI LILLY AND COMPANY (US) 1995-06-20 US 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