SCHEMBL28141587

SCHEMBL28141587

NC(=O)c1nc(C(N)=O)c2[nH]cnc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.42
▸ PNP P00491 1/20 0.41
▸ GDA Q9Y2T3 3/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ MGMT P16455 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SRC P12931 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ MAP3K5 Q99683 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
SCHEMBL27461919 0.83 GDA (0.58) DPP4PNPGDAPDPK1MGMT
SCHEMBL27796380 0.77 PI4KA (0.52) PDPK1CYP1A2HSD17B10CDK2NEK2
SCHEMBL1749123 0.75 PI4KA (0.53) PDPK1CYP1A2HSD17B10CDK2NEK2
SCHEMBL31599206 0.73 HDAC1 (0.40) GDAPDPK1MGMTNEK2SRC
SCHEMBL30751337 0.72 PDE4A (0.57) PNPMGMTCYP1A2CYP2C19HSD17B10
SCHEMBL1721311 0.70 ALDH1A1 (0.55) DPP4PNPGDAMGMTCDK2
SCHEMBL9639791 0.69 GAA (0.40) DPP4PNPGDAPDPK1MGMT
SCHEMBL29509029 0.69 GDA (0.58) DPP4PNPGDAPDPK1MGMT
SCHEMBL1684049 0.69 GDA (0.58) DPP4PNPGDAPDPK1MGMT
SCHEMBL31360592 0.69 CYP1A2 (0.37) DPP4PNPGDAPDPK1MGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108992446-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2018-12-14 — — CN disclosed
CN-104271159-B The method that non-small cell lung cancer is treated using the therapeutic alliance of TOR kinase inhibitors 西格诺药品有限公司 2017-11-28 — — CN disclosed
CN-107157990-A Utilize TOR kinase inhibitor for treating cancers 西格诺药品有限公司 2017-09-15 — — CN disclosed
CN-107137402-A With TOR kinase inhibitor for treating cancers 西格诺药品有限公司 2017-09-08 — — CN disclosed
CN-104302295-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2017-06-20 — — CN disclosed
CN-103998036-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2017-05-31 — — CN disclosed
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