SCHEMBL30449348

SCHEMBL30449348

CC(=O)Nc1nccc(Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PTK2 Q05397 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
ABL1 P00519 2/20 0.38
AURKA O14965 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
MEN1 O00255 1/20 0.37
PRNP P04156 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22977449 1.00 MAPT (0.44) MAPTPTK2JAK2JAK1TYK2
SCHEMBL11465233 0.81 LMNA (0.41) PTK2LMNAPOLBALDH1A1KDM4E
SCHEMBL25193541 0.79 LMNA (0.43) PTK2LMNAPOLBALDH1A1KDM4E
SCHEMBL22958184 0.79 PTK2 (0.42) PTK2JAK2JAK1TYK2LMNA
SCHEMBL17610582 0.79 LMNA (0.40) MAPTPTK2LMNAPOLBALDH1A1
SCHEMBL25193199 0.78 ALDH1A1 (0.41) PTK2JAK2JAK1TYK2ALDH1A1
SCHEMBL18888437 0.78 ATR (0.51) TYK2
SCHEMBL25190521 0.77 MAPK8 (0.42) MAPTPTK2JAK2JAK1TYK2
SCHEMBL13170017 0.76 RAB9A (0.54) JAK2JAK1TYK2DHODHLMNA
SCHEMBL25191601 0.76 LMNA (0.38) PTK2LMNAPOLBALDH1A1KDM4E

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-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 CN disclosed