SCHEMBL28366732

SCHEMBL28366732

Nc1nc(NCC2CCC2)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 19/20 0.84
▸ IDH2 P48735 5/20 0.76

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
SCHEMBL21573279 0.95 IDH1 (0.84) IDH1IDH2
SCHEMBL16393286 0.92 IDH1 (1.00) IDH1IDH2
SCHEMBL16392765 0.87 IDH1 (1.00) IDH1IDH2
SCHEMBL29975769 0.87 IDH1 (1.00) IDH1IDH2
SCHEMBL28363063 0.87 IDH1 (0.85) IDH1IDH2
SCHEMBL28363168 0.83 IDH1 (0.85) IDH1IDH2
SCHEMBL22271216 0.81 IDH1 (0.82) IDH1IDH2
SCHEMBL16392860 0.81 IDH1 (0.61) IDH1IDH2
SCHEMBL22271237 0.80 IDH1 (0.79) IDH1IDH2
SCHEMBL21573323 0.79 NPSR1 (0.59) IDH1IDH2

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
CN-111087353-B Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2023-10-24 — — CN disclosed
CN-111087353-A Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2020-05-01 — — CN disclosed
CN-105473560-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2020-01-17 — — CN disclosed
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