SCHEMBL30968152

SCHEMBL30968152

Cn1nc(Br)c2cnc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.39
NR3C1 P04150 2/20 0.34
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
BTK Q06187 1/20 0.31
CDK1 P06493 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL8089905 0.80 PDE2A (0.40) PDE2ANR3C1KMT2AGAASMN1; SMN2
SCHEMBL26527418 0.79 PDE2A (0.39) PDE2AKMT2AGAASMN1; SMN2BTK
SCHEMBL30259549 0.79 PDE2A (0.39) PDE2AKMT2AGAASMN1; SMN2BTK
SCHEMBL4365066 0.79 BTK (0.31) KMT2AKDM4EALDH1A1BTK
SCHEMBL25690441 0.77 MPO (0.34) KMT2ACYP1A2
SCHEMBL31728695 0.76 CSNK1A1 (0.39) PDE2AKMT2AGAASMN1; SMN2KDM4E
SCHEMBL14192196 0.76 PDE2A (0.37) PDE2ANR3C1KMT2AGAASMN1; SMN2
SCHEMBL4262449 0.76 KDM4E (0.33) KMT2AKDM4E
SCHEMBL31729367 0.76 PDE2A (0.35) PDE2ANR3C1KMT2AGAASMN1; SMN2
SCHEMBL31729399 0.75 PDE2A (0.36) PDE2AKMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242880-A1 THERAPEUTIC COMPOUNDS AND THEIR USE MY-T BIO LIMITED (GB) 2025-11-27 WO disclosed
WO-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed