SCHEMBL31258318

SCHEMBL31258318

Cc1nc(NC(N)=O)c2[nH]cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.44
▸ MTOR P42345 2/20 0.44
▸ GDA Q9Y2T3 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ BRAF P15056 3/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ MGMT P16455 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL17165346 1.00 PIK3CA (0.44) PIK3CAMTORGDANPC1RAB9A
SCHEMBL16146528 0.86 GDA (0.55) PIK3CAMTORGDANPC1RAB9A
SCHEMBL28878261 0.79 XDH (0.47) PIK3CAMTORGDAXDHBRAF
SCHEMBL20565 0.77 XDH (0.67) PIK3CAMTORGDAXDHBRAF
SCHEMBL30523428 0.77 XDH (0.67) PIK3CAMTORGDAXDHBRAF
SCHEMBL5437612 0.76 BRD4 (0.62) NPC1RAB9ABRAFMKNK1TP53
SCHEMBL3134157 0.76 HDAC1 (0.43) PIK3CAMTORGDANPC1RAB9A
SCHEMBL2346676 0.74 MKNK1 (0.41) GDANPC1RAB9ABRAFMKNK1
SCHEMBL5694222 0.74 GDA (0.55) PIK3CAMTORGDANPC1RAB9A
SCHEMBL16146881 0.73 ADORA3 (0.50) PIK3CAMTORXDHPDE2ATP53

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
EP-4698679-A1 NOVEL SELF-CLEAVING DNAZYMES AND SELECTION PROCESS Technische Universität München (DE) 2026-02-25 — — EP disclosed
WO-2025042559-A1 METHODS AND COMPOSITIONS FOR MODULATING BACTERIOPHAGE NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 — — WO disclosed
WO-2024218307-A1 NOVEL SELF-CLEAVING DNAZYMES AND SELECTION PROCESS Technische Universität München (DE) 2024-10-24 — — WO disclosed
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