SCHEMBL30640940

SCHEMBL30640940

Nc1ccc(-c2cnn(C(F)F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.44
MAP4K4 O95819 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPT P10636 1/20 0.38
LTA4H P09960 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
ALOX5AP P20292 1/20 0.38
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
PIP5K1C O60331 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL28511565 1.00 PIK3CD (0.44) PIK3CDMAP4K4MKNK1MKNK2MAPT
SCHEMBL30269910 0.83 PIK3CD (0.51) PIK3CDMAP4K4MKNK1MKNK2MAPT
SCHEMBL22164604 0.83 PIK3CD (0.51) PIK3CDMAP4K4MKNK1MKNK2MAPT
SCHEMBL18520105 0.81 ALDH1A1 (0.41) PIK3CDMAPTPIK3CAPIK3CGALOX5AP
SCHEMBL30695445 0.79 DYRK1A (0.45) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL20409478 0.74 PIK3CD (0.48) PIK3CDMAP4K4MKNK1MKNK2MAPT
SCHEMBL3387141 0.74 KIT (0.56) PIK3CDMAP4K4MKNK1MKNK2MAPT
SCHEMBL17809810 0.74 CREBBP (0.39) PIK3CDMAPTPIK3CAPIK3CGPIP5K1C
SCHEMBL30888279 0.73 ALDH1A1 (0.52) PIK3CDMAPTPIK3CAPIK3CGKCNH2
SCHEMBL1257460 0.73 PIK3CD (0.73) PIK3CDMAP4K4MKNK1MKNK2MAPT

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
CN-112218857-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2023-11-21 CN disclosed