SCHEMBL31328784

SCHEMBL31328784

COCOc1cc(Br)c2cccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.42
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
EGFR P00533 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL29933480 0.85 SYK (0.49) SYKHTR1AADRA1DADRA1AADRA1B
SCHEMBL14659225 0.85 SYK (0.49) SYKHTR1AADRA1DADRA1AADRA1B
SCHEMBL25156347 0.78 CYP3A4 (0.58) PDGFRBPDGFRAMEN1KMT2ASMN1; SMN2
SCHEMBL30344821 0.78 CYP3A4 (0.58) PDGFRBPDGFRAMEN1KMT2ASMN1; SMN2
SCHEMBL19616584 0.76 CYP1A2 (0.40) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL29909876 0.76 CYP1A2 (0.40) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL19617181 0.76 HSP90AA1 (0.43) HTR1AKDM4EMEN1TP53HSP90AA1
SCHEMBL25467033 0.72 MAPT (0.45) EGFRMEN1HTTKMT2ATDP1
SCHEMBL18318260 0.72 ALDH1A1 (0.48) SYKHTR1AADRA1DADRA1AADRA1B
SCHEMBL30908153 0.72 ALDH1A1 (0.48) SYKHTR1AADRA1DADRA1AADRA1B

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-2025040767-A1 2-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-1,3,5-TRIAZINE DERIVATIVES AS KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER SANOFI (FR) 2025-02-27 WO disclosed