SCHEMBL7136206

SCHEMBL7136206

Cc1c(Br)ccc2c1C(=Cc1ccc(Oc3ccccc3)cc1)C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.50
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
XDH P47989 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PDGFRB P09619 2/20 0.40
IGF1R P08069 1/20 0.40
NTRK1 P04629 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL5377025 0.89 RET (0.54) RETHPGDLRRK2PDGFRBIGF1R
SCHEMBL7136100 0.86 RET (0.67) RETHPGDLRRK2PDGFRBIGF1R
SCHEMBL7140011 0.85 PPARG (0.61) RETHPGDMMP3MMP13MAOA
SCHEMBL7130522 0.85 ADAMTS5 (0.51) RETAKR1B1MMP3MMP13MAOA
SCHEMBL7133306 0.85 ADAMTS5 (0.50) RETAKR1B1HPGDLRRK2NTRK1
SCHEMBL7134014 0.83 RET (0.48) RETHPGDLRRK2PDGFRBIGF1R
SCHEMBL7137035 0.83 PIM1 (0.48) RETHPGDLRRK2PDGFRBPSEN1
SCHEMBL5370263 0.83 ERBB2 (0.44) RETLRRK2PDGFRBIGF1RNTRK1
SCHEMBL7133303 0.82 AKR1B1 (0.45) RETAKR1B1HPGDMMP3MMP13
SCHEMBL7136320 0.82 ADAMTS5 (0.54) RETAKR1B1MMP3MMP13LRRK2

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