SCHEMBL31241045

SCHEMBL31241045

O=C(Nc1ncc(Br)cn1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
BACE1 P56817 1/20 0.53
P4HTM Q9NXG6 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
PTPN1 P18031 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49

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
SCHEMBL5648961 0.83 CYP1A2 (0.54) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL27468291 0.83 MEN1 (0.51) KCNQ3KCNQ2P4HTMCYP1A2CYP3A4
SCHEMBL31241093 0.81 GAA (0.55) KDM4ECYP1A2CYP3A4HTTMEN1
SCHEMBL2890734 0.81 KDM4E (0.68) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5651949 0.78 NPC1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL23405972 0.76 HTT (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2431041 0.76 NPC1 (0.55) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14226047 0.75 KMT2A (0.54) HTTMEN1KMT2ARAB9AHDAC3
SCHEMBL23405993 0.75 LMNA (0.64) KMT2ARAB9AHDAC1HDAC2CYP11B1
SCHEMBL23406009 0.75 GRM1 (0.57) CYP1A2CYP3A4HTTPTPN1MEN1

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-118812505-A PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof 贵州医科大学 2024-10-22 CN disclosed