SCHEMBL30704239

SCHEMBL30704239

O=C(O)/C(F)=C/c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTH P32929 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP1A2 P05177 1/20 0.33
PLAU P00749 1/20 0.33
LMNA P02545 1/20 0.32
FDPS P14324 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL26932725 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL26932631 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL17305466 0.81 HTR2A (0.34) ALDH1A1KDM4EL3MBTL1NPC1MEN1
SCHEMBL26932950 0.79 RAB9A (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2L3MBTL1
SCHEMBL26932629 0.79 RAB9A (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2L3MBTL1
SCHEMBL30704195 0.77 MAPT (0.51) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL1914364 0.76 KDM4E (0.42) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL16737458 0.76 KDM4E (0.42) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL1914087 0.73 KDM4E (0.50) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2
SCHEMBL1914082 0.73 KDM4E (0.50) ALDH1A1KDM4ETSHRRAB9ASMN1; SMN2

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
EP-4536668-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-04-16 EP disclosed
CN-119630676-A Pyrido [4,3-D ] pyrimidine derivatives as KRAS inhibitors 百时美施贵宝公司 2025-03-14 CN disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed