SCHEMBL29030552

SCHEMBL29030552

C#Cc1ccc(-c2nnc(NC3CCCN(C(=O)OC(C)(C)C)C3)c(C3CCCCC3)c2C2CCCCC2)c(OCOCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
USP30 Q70CQ3 2/20 0.35
BTK Q06187 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
NLRP3 Q96P20 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
ALOX5 P09917 1/20 0.34
PIK3CD O00329 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL29030550 1.00 PIM1 (0.35) PIM1PIM2USP30BTKJAK2
SCHEMBL30488491 1.00 PIM1 (0.35) PIM1PIM2USP30BTKJAK2
SCHEMBL30488568 1.00 PIM1 (0.35) PIM1PIM2USP30BTKJAK2
SCHEMBL30488567 0.89 PIM1 (0.36) PIM1PIM2USP30BTKJAK2
SCHEMBL29030516 0.89 PIM1 (0.36) PIM1PIM2USP30BTKJAK2
SCHEMBL29030515 0.89 PIM1 (0.36) PIM1PIM2USP30BTKJAK2
SCHEMBL30488607 0.85 NLRP3 (0.38) PIM1PIM2USP30BTKJAK2
SCHEMBL29030561 0.85 NLRP3 (0.38) PIM1PIM2USP30BTKJAK2
SCHEMBL29030563 0.85 NLRP3 (0.38) PIM1PIM2USP30BTKJAK2
SCHEMBL30488499 0.85 NLRP3 (0.38) PIM1PIM2USP30BTKJAK2

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-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed