SCHEMBL25516100

SCHEMBL25516100

C=C/C(=C\C)Nc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.47
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CTSD P07339 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 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
SCHEMBL12407894 0.80 MDM2 (0.52) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL21250145 0.80 MDM2 (0.47) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL18392866 0.79 TGM2 (0.55) RAB9AKDM4ETAAR1EPHX1KMT2A
SCHEMBL20013084 0.79 MDM2 (0.39) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL6430031 0.73 TGM2 (0.64) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL19546741 0.73 PTPN1 (0.47) RAB9AKDM4EL3MBTL1TAAR1KMT2A
SCHEMBL24319302 0.71 TGM2 (0.36) —
SCHEMBL12181323 0.70 MDM2 (0.54) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL1343362 0.69 MDM2 (0.59) MDM2RAB9AKDM4EL3MBTL1TAAR1
SCHEMBL21250127 0.69 MDM2 (0.40) MDM2KDM4EL3MBTL1TAAR1EPHX1

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
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
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