SCHEMBL7942601

SCHEMBL7942601

CNc1nc(NC)c2ncnc(NC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 5/20 0.46
YTHDF2 Q9Y5A9 2/20 0.46
EGFR P00533 3/20 0.40
KHK P50053 1/20 0.36
PDPK1 O15530 1/20 0.35
MAP4K4 O95819 1/20 0.35
TRIM58 Q8NG06 1/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL29515444 0.82 TRIM58 (0.37) YTHDC1EGFRTRIM58PDE4APDE4B
SCHEMBL16094412 0.81 SLC29A1 (0.42) YTHDC1YTHDF2KHKCA1CA2
SCHEMBL7937489 0.80 MAP4K4 (0.37) YTHDC1YTHDF2EGFRKHKMAP4K4
SCHEMBL7939938 0.78 YTHDC1 (0.49) YTHDC1YTHDF2ADORA3
SCHEMBL16094713 0.78 SLC29A1 (0.42) EGFRKHKALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL16094548 0.77 SLC29A1 (0.41) EGFRKHKALDH1A1LMNAHTT
SCHEMBL7937484 0.68 SLC29A1 (0.39) KHKMAP4K4CA1CA2CA9
SCHEMBL11876693 0.67 XDH (0.39) YTHDC1YTHDF2PDPK1TRIM58PDE4A
SCHEMBL7937472 0.66 SLC29A1 (0.51) KHKCA1CA2CA9ALDH1A1
SCHEMBL25762070 0.66 PDPK1 (0.39) YTHDC1YTHDF2EGFRPDPK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed