SCHEMBL25484070

SCHEMBL25484070

CCCN(CCC)c1ccc2nc(C)cc(Nc3ccc(-c4nc5nc(Nc6ccnc(C)c6)ccc5[nH]4)nc3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TERT O14746 3/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL26327371 0.85 SLC2A1 (0.31) SLC2A1EHMT2L3MBTL1ALDH1A1MAPT
SCHEMBL23999409 0.83 LRRK2 (0.40) SLC2A1EHMT2L3MBTL1TERTDOT1L
SCHEMBL30180298 0.83 KDR (0.39) KDR
SCHEMBL23999444 0.83 KDR (0.39) KDR
SCHEMBL23999480 0.81 DNMT1 (0.38) MAPTPOLBSMN1; SMN2MAPK1RAD52
SCHEMBL23999592 0.80 KDR (0.39) KDR
SCHEMBL30180366 0.80 MAPT (0.46) SLC2A1MAPTPOLBSMN1; SMN2MAPK1
SCHEMBL23999377 0.80 MAPT (0.46) SLC2A1MAPTPOLBSMN1; SMN2MAPK1
SCHEMBL25495797 0.78 KDR (0.37) KDR
SCHEMBL23999399 0.76 MAPKAPK2 (0.42) KDR

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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