SCHEMBL7138252

SCHEMBL7138252

COc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.45
CCNE2 O96020 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
PLK4 O00444 2/20 0.44
EGFR P00533 1/20 0.43
TUBB1 Q9H4B7 2/20 0.42
KDM1A O60341 2/20 0.42
RET P07949 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHFR P00374 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 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
SCHEMBL7138342 0.89 ALDH1A1 (0.53) ERBB2PLK4EGFRKDM1ARET
SCHEMBL7136802 0.87 LRRK2 (0.43) CCNE2CCNE1CDK2PLK4RET
SCHEMBL7138253 0.87 KDM1A (0.54) PLK4KDM1ARETALDH1A1MAPT
SCHEMBL5366009 0.85 ERBB2 (0.62) ERBB2PLK4EGFRKDM1ARET
SCHEMBL7136184 0.84 ERBB2 (0.43) ERBB2PLK4EGFRTUBB1KDM1A
SCHEMBL5357895 0.84 IGF1R (0.53) PLK4KDM1AALDH1A1MAPTKMT2A
SCHEMBL5358747 0.83 PLK4 (0.60) ERBB2PLK4EGFRALDH1A1MAPT
SCHEMBL7139913 0.80 RAF1 (0.42) PLK4EGFRRETMAPTKMT2A
SCHEMBL7134866 0.80 LRRK2 (0.50) RETALDH1A1MAPTKMT2AMEN1
SCHEMBL7136994 0.79 MAOA (0.44) PLK4RETKMT2AMEN1PLK1

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed