SCHEMBL25599154

SCHEMBL25599154

C=CC(=O)Nc1ccc2c(c1)nc(N1CCC(F)(F)CC1)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
SLK Q9H2G2 1/20 0.39

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
SCHEMBL25681675 0.93 SMN1; SMN2 (0.42) SMN1; SMN2GLALMNAHTTMAPT
SCHEMBL25599144 0.87 MAPT (0.45) SMN1; SMN2GLALMNAHTTMAPT
SCHEMBL25598176 0.87 SMN1; SMN2 (0.54) TGM2SMN1; SMN2GLALMNAHTT
SCHEMBL25599220 0.82 UCHL3 (0.39) F13A1TGM2TGM1EGFR
SCHEMBL25681648 0.81 SMN1; SMN2 (0.41) TGM2SMN1; SMN2GLALMNAHTT
SCHEMBL25599129 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GLALMNAHTTMAPT
SCHEMBL25599089 0.79 SMN1; SMN2 (0.43) SMN1; SMN2GLALMNAHTTMAPT
SCHEMBL25681606 0.79 SMN1; SMN2 (0.43) SMN1; SMN2GLALMNAHTTMAPT
SCHEMBL25270317 0.78 CCNK (0.42) F13A1TGM2TGM1SMN1; SMN2LMNA
SCHEMBL30464349 0.78 CCNK (0.42) F13A1TGM2TGM1SMN1; SMN2LMNA

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-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed