SCHEMBL30201817

SCHEMBL30201817

Cc1nc(-c2cc(Br)ccn2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GRM5 P41594 4/20 0.46
NTRK1 P04629 3/20 0.44
PIM1 P11309 3/20 0.44
KDM4E B2RXH2 2/20 0.42
PKM P14618 6/20 0.41
TP53 P04637 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
CHEK1 O14757 1/20 0.37
CDK2 P24941 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL24921145 0.78 CCR1 (0.58) L3MBTL1GRM5NTRK1PIM1KDM4E
SCHEMBL3149107 0.76 L3MBTL1 (0.42) L3MBTL1GRM5NTRK1PIM1KDM4E
SCHEMBL14752348 0.76 KDM5C (0.54) KDM4EMAPTALDH1A1
SCHEMBL29972725 0.75 L3MBTL1 (0.43) L3MBTL1GRM5NTRK1PIM1KDM4E
SCHEMBL6669276 0.75 L3MBTL1 (0.43) L3MBTL1GRM5NTRK1PIM1KDM4E
SCHEMBL24921750 0.74 L3MBTL1 (0.41) L3MBTL1GRM5NTRK1PIM1KDM4E
SCHEMBL2655803 0.74 HTT (0.65) L3MBTL1GRM5KDM4EPKMTP53
SCHEMBL31478766 0.74 HTT (0.65) L3MBTL1GRM5KDM4EPKMTP53
SCHEMBL17055753 0.73 ACHE (0.45) L3MBTL1GRM5PKMTP53MEN1
SCHEMBL2386959 0.71 L3MBTL1 (0.77) L3MBTL1GRM5KDM4ETP53MEN1

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
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed