SCHEMBL29973757

SCHEMBL29973757

NC(=O)c1cc2c3ccccc3ncn2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GRM2 Q14416 10/20 0.39
FGFR1 P11362 1/20 0.39
PLA2G10 O15496 1/20 0.37
BTK Q06187 1/20 0.37
USP5 P45974 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11470591 0.87 KDM4E (0.59) KDM4EFGFR1USP5SMN1; SMN2
SCHEMBL11472894 0.74 KDM4E (0.62) KDM4EFGFR1USP5SMN1; SMN2
SCHEMBL363828 0.73 KDM4E (1.00) KDM4ESMN1; SMN2
SCHEMBL38657620 0.68 KDM4E (0.43) KDM4EGRM2USP5SMN1; SMN2
SCHEMBL29974345 0.65 KDM4E (0.54) KDM4EFGFR1
SCHEMBL361719 0.65 KDM4E (0.54) KDM4EFGFR1
SCHEMBL15652101 0.65 NPC1 (0.55) KDM4ESMN1; SMN2
SCHEMBL19659562 0.65 PARP1 (0.48) KDM4EGRM2PLA2G10
SCHEMBL19659747 0.63 GRM2 (0.44) GRM2
SCHEMBL29967853 0.63 KDM4E (0.51) KDM4EUSP5

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
EP-3307067-B1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2022-11-02 EP claimed