SCHEMBL24440421

SCHEMBL24440421

c1ccc(-c2nc(-c3c[nH]c4nccnc34)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP19A1 P11511 3/20 0.50
AR P10275 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL24440457 0.90 RAB9A (0.51) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17243071 0.83 RAB9A (0.61) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL24440624 0.80 C1S (0.45) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL30208793 0.77 MAPK1 (0.51) CDK5CDK5R1MAPK1AXLMKNK2
SCHEMBL24440736 0.77 NPC1 (0.56) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL24440732 0.76 KMT2A (0.54) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL98272 0.75 ROCK1 (0.62) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL11213832 0.74 RAB9A (0.77) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17243087 0.73 MEN1 (0.84) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL24440465 0.73 KMT2A (0.48) RAB9ASMN1; SMN2KMT2AMAPTMEN1

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
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 WO disclosed