SCHEMBL30897563

SCHEMBL30897563

O=C1NCc2c1[nH]c1ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 2/20 0.69
HPGD P15428 2/20 0.69
HTT P42858 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
MAP3K11 Q16584 5/20 0.57
MAP3K9 P80192 4/20 0.57
PRKCA P17252 2/20 0.57
PRKD3 O94806 1/20 0.57
PRKCG P05129 1/20 0.57
PRKCB P05771 1/20 0.57
GLI1 P08151 1/20 0.57
GLI2 P10070 1/20 0.57
CDK4 P11802 1/20 0.57
CTRB1 P17538 1/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57

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
SCHEMBL13025156 0.84 MAP3K11 (0.60) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL25205302 0.81 KDM4E (0.56) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL797563 0.81 KDM4E (1.00) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL6882020 0.79 KDM4E (0.81) MEN1KMT2AKDM4EHPGDHTT
SCHEMBL1520435 0.74 GSK3B (0.67) MEN1KMT2AKDM4EHPGDHTT
Staurosporinone SCHEMBL29389399 0.73 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKD3PRKCG
Staurosporinone SCHEMBL29374983 0.73 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKD3PRKCG
SCHEMBL16131549 0.73 MAP3K11 (0.56) MAP3K11MAP3K9PRKCAPRKD3PRKCG
Staurosporinone SCHEMBL5440281 0.73 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKD3PRKCG
SCHEMBL484701 0.72 MAP3K11 (0.55) MEN1KMT2AKDM4EHPGDHTT

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-4615846-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF Parmedics, Inc. (US) 2025-09-17 EP disclosed
WO-2024102752-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF PARMEDICS, INC. (US) 2024-05-16 WO disclosed