SCHEMBL10442146

SCHEMBL10442146

CNc1ncnc2[nH]c(N(C)C)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.46
▸ YTHDC1 Q96MU7 4/20 0.41
▸ YTHDF2 Q9Y5A9 2/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ SGK1 O00141 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL20420131 0.77 YTHDC1 (0.49) YTHDC1YTHDF2PDPK1LMNACYP3A4
SCHEMBL14779729 0.75 EGFR (0.52) MEN1LMNACYP3A4MAPTCDK2
SCHEMBL14779332 0.75 CDK2 (0.50) NUDT1CCNA2CDK2MAPK1CCNA1
SCHEMBL355787 0.75 YTHDC1 (0.43) YTHDC1YTHDF2PDPK1CSF1RMAP4K4
SCHEMBL14779029 0.72 TSHR (0.53) NUDT1CCNA2CDK2MAPK1CCNA1
SCHEMBL14778188 0.72 CCNB2 (0.53) MEN1NPC1LMNACYP3A4MAPT
SCHEMBL20420132 0.66 AKT2 (0.42) NUDT1YTHDC1YTHDF2PDPK1CYP3A4
SCHEMBL21913 0.64 YTHDC1 (0.47) YTHDC1YTHDF2PDPK1LMNACYP3A4
SCHEMBL9655905 0.64 NUDT1 (0.41) NUDT1SGK1MEN1NPC1GMNN
SCHEMBL15756696 0.63 NUDT1 (0.44) NUDT1

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
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 — — EP disclosed
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