SCHEMBL29945866

SCHEMBL29945866

COc1cc2cnnc(Cl)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
FLT1 P17948 1/20 0.52
EGFR P00533 1/20 0.51
SOS1 Q07889 6/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 3/20 0.42
PLK4 O00444 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL3062053 1.00 ALDH1A1 (0.55) ALDH1A1FLT1EGFRSOS1PDE4A
SCHEMBL4157998 0.81 ALDH1A1 (0.55) ALDH1A1FLT1EGFRSOS1PDE4A
SCHEMBL13815416 0.80 FLT1 (0.43) FLT1EGFRKDRENPP1
SCHEMBL31678471 0.79 ALDH1A1 (0.57) ALDH1A1FLT1EGFRSOS1KDM4E
SCHEMBL29945742 0.78 ALDH1A1 (0.55) ALDH1A1FLT1EGFRSOS1PDE4A
SCHEMBL29945847 0.78 ENPP1 (0.44) ALDH1A1KDM4ESMN1; SMN2PDE10APGK1
SCHEMBL8857450 0.78 ENPP1 (0.44) ALDH1A1KDM4ESMN1; SMN2PDE10APGK1
SCHEMBL23709204 0.75 SOS1 (0.52) ALDH1A1FLT1EGFRSOS1PDE4A
SCHEMBL1526862 0.75 MTNR1A (0.49) ALDH1A1EGFRKDM4ESMN1; SMN2CYP1A2
SCHEMBL23709202 0.75 ALDH1A1 (0.52) ALDH1A1FLT1EGFRSOS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-119233820-A Azo compounds for the treatment of fibrotic diseases 乔治-奥古斯特-哥廷根公法基金会大学的大学医学院 2024-12-31 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed