SCHEMBL9565767

SCHEMBL9565767

Cc1nc(O)c2c(I)c[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
DYRK1A Q13627 6/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPK1 P28482 1/20 0.33
PIM1 P11309 2/20 0.32
DYRK2 Q92630 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
CDK9 P50750 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
SCHEMBL15401745 0.78 CHEK1 (0.53) CHEK1DYRK1AHSP90AA1HSP90AB1MAPK1
SCHEMBL7886482 0.78 DYRK1A (0.35) DYRK1AHSP90AA1HSP90AB1MAPK1PIM1
SCHEMBL7887899 0.69 CHEK1 (0.61) CHEK1DYRK1AMAPK1PIM1DYRK1B
SCHEMBL14158956 0.66 CHEK1 (0.43) CHEK1HSP90AA1HSP90AB1MAPK1
SCHEMBL7851196 0.66 TYMS (0.48) CHEK1MAPK1
SCHEMBL10307717 0.64 DYRK1A (0.38) DYRK1AHSP90AA1HSP90AB1PIM1DYRK2
SCHEMBL14197939 0.63
SCHEMBL11986721 0.63 CHUK (0.41)
SCHEMBL19710955 0.63 DYRK1A (0.43) DYRK1AHSP90AA1HSP90AB1PIM1DYRK2
SCHEMBL1017711 0.62 CHEK1 (0.56) CHEK1MAPK1

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
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