SCHEMBL30459265

SCHEMBL30459265

O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 12/20 0.79
GRM4 Q14833 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
S1PR1 P21453 1/20 0.48
SMO Q99835 1/20 0.48

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
SCHEMBL1938295 1.00 KMO (0.79) KMOGRM4MEN1KMT2ALMNA
SCHEMBL1939177 0.88 KMO (1.00) KMOGRM4MEN1KMT2ASMO
SCHEMBL1938796 0.87 KMO (0.75) KMOGRM4SMO
SCHEMBL30429642 0.87 KMO (0.75) KMOGRM4SMO
SCHEMBL1939398 0.86 KMO (0.77) KMOGRM4SMO
SCHEMBL1937820 0.85 KMO (0.76) KMOGRM4MAPK1
SCHEMBL1938480 0.84 KMO (0.64) KMOGRM4MEN1KMT2APOLB
SCHEMBL30429433 0.84 KMO (0.64) KMOGRM4MEN1KMT2APOLB
SCHEMBL1939192 0.83 KMO (0.59) KMOGRM4LMNA
SCHEMBL30459555 0.83 KMO (0.59) KMOGRM4LMNA

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-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN disclosed