SCHEMBL23197815

SCHEMBL23197815

C=C(/N=C(C)\C(C=N)=C(/C)Nc1cccc(C(F)(F)F)c1)NC1CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MPO P05164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL23197769 0.76 TP53 (0.49) LMNARAB9ASMN1; SMN2TP53MEN1
SCHEMBL23198944 0.73 TP53 (0.46) LMNAPOLBRAB9ASMN1; SMN2TP53
SCHEMBL23197834 0.73 TP53 (0.52) LMNARAB9ASMN1; SMN2TP53MEN1
SCHEMBL23198467 0.69 TP53 (0.42) LMNARAB9ASMN1; SMN2TP53MEN1
SCHEMBL23198655 0.68 EPHX2 (0.42) LMNAPOLBRAB9AEPHX2SMN1; SMN2
SCHEMBL23198512 0.66 P2RX1 (0.40) LMNAPOLBRAB9AEPHX2ALDH1A1
SCHEMBL19766263 0.64 L3MBTL1 (0.61) LMNARAB9ASMN1; SMN2TP53MEN1
SCHEMBL23197819 0.64 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL7535310 0.62 TDP1 (0.62) LMNARAB9ASMN1; SMN2TP53MEN1
SCHEMBL18665944 0.62 TP53 (0.56) LMNARAB9ASMN1; SMN2TP53MEN1

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-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed