SCHEMBL30879644

SCHEMBL30879644

NC(=O)c1ccnc(-c2c(F)cccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.42
PIM3 Q86V86 4/20 0.42
PIM2 Q9P1W9 3/20 0.42
TYK2 P29597 1/20 0.42
MAP4K1 Q92918 5/20 0.41
NTRK1 P04629 5/20 0.40
GRM2 Q14416 3/20 0.39
CA5A P35218 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MAP4K2 Q12851 2/20 0.38
STK4 Q13043 2/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL30879626 0.86 MAP4K1 (0.56) MAP4K1NTRK1MAP4K2STK4
SCHEMBL21296075 0.86 MAP4K1 (0.56) MAP4K1NTRK1MAP4K2STK4
SCHEMBL320207 0.85 KDM4E (0.47) PIM1PIM3PIM2TYK2MAP4K1
SCHEMBL9081101 0.80 ADORA3 (0.43) PIM1PIM2SCN9A
SCHEMBL13727555 0.79 PARP1 (0.42) PIM1NTRK1SCN9A
SCHEMBL16505347 0.75 GRM2 (0.40) PIM1PIM2NTRK1GRM2SCN9A
SCHEMBL2543831 0.75 HDAC6 (0.50) NTRK1SCN9A
SCHEMBL29383595 0.75 HDAC6 (0.50) NTRK1SCN9A
SCHEMBL14892024 0.73 PIM2 (0.46) PIM1PIM3PIM2GRM2
SCHEMBL29470045 0.73 PIM2 (0.46) PIM1PIM3PIM2GRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292380-B N- (phenyl) -2- (phenyl) pyrimidine-4-carboxamide derivatives and related compounds as HPK1 inhibitors for the treatment of cancer 因赛特公司 2024-04-05 CN claimed
CN-112292380-B N- (phenyl) -2- (phenyl) pyrimidine-4-carboxamide derivatives and related compounds as HPK1 inhibitors for the treatment of cancer 因赛特公司 2024-04-05 CN disclosed