SCHEMBL26645641

SCHEMBL26645641

O=C1NCC(COCc2ccccc2)n2nc(-c3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
LMNA P02545 1/20 0.38
DHODH Q02127 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
CDC7 O00311 2/20 0.36
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
GRM5 P41594 1/20 0.36
GRM3 Q14832 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 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
SCHEMBL30623024 1.00 MAPKAPK2 (0.42) MAPKAPK2LMNADHODHABHD6DAGLA
SCHEMBL30623001 0.90 MAPKAPK2 (0.41) MAPKAPK2DHODHCDC7PIM1PIM2
SCHEMBL26645499 0.90 MAPKAPK2 (0.41) MAPKAPK2DHODHCDC7PIM1PIM2
SCHEMBL18350261 0.90 MAPKAPK2 (0.42) MAPKAPK2LMNADHODHABHD6DAGLA
SCHEMBL30623019 0.81 LMNA (0.43) MAPKAPK2LMNAABHD6DAGLACDC7
SCHEMBL26645782 0.81 LMNA (0.43) MAPKAPK2LMNAABHD6DAGLACDC7
SCHEMBL30623046 0.80 DHODH (0.38) LMNADHODHABHD6DAGLA
SCHEMBL26645297 0.80 DHODH (0.38) LMNADHODHABHD6DAGLA
SCHEMBL18350447 0.75 MAPKAPK2 (0.41) MAPKAPK2LMNACDC7PIM1PIM2
SCHEMBL25225960 0.73 PIK3C3 (0.55) MAPKAPK2CDC7PIM1GSK3B

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed