SCHEMBL29909264

SCHEMBL29909264

Nc1cc2c(cc1F)c(N1CCCc3ccccc31)nc1nncn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
STAT3 P40763 1/20 0.52
MAPT P10636 6/20 0.39
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NUDT1 P36639 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 1/20 0.37
TUBB4A P04350 4/20 0.34
TUBB P07437 4/20 0.34
TUBA3C P0DPH7 4/20 0.34
TUBA1B P68363 4/20 0.34
TUBA4A P68366 4/20 0.34
TUBB4B P68371 4/20 0.34
TUBB3 Q13509 4/20 0.34

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
SCHEMBL23577076 1.00 KMT2A (0.52) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL23577062 0.97 KMT2A (0.48) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL29909088 0.93 KMT2A (0.54) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL23576636 0.93 KMT2A (0.54) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL23577180 0.90 KMT2A (0.46) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL29909952 0.89 STAT3 (0.39) KMT2ASTAT3MAPTROCK1
SCHEMBL23576993 0.89 STAT3 (0.39) KMT2ASTAT3MAPTROCK1
SCHEMBL23601794 0.89 KMT2A (0.51) KMT2ASTAT3MAPTROCK1ALDH1A1
SCHEMBL23576884 0.87 STAT3 (0.38) KMT2ASTAT3MAPTEGFR
SCHEMBL29909213 0.87 STAT3 (0.38) KMT2ASTAT3MAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed