SCHEMBL7134014

SCHEMBL7134014

Cc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 2/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PDGFRB P09619 5/20 0.42
ERBB2 P04626 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IGF1R P08069 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
SCHEMBL7134022 0.89 LRRK2 (0.48) RETERBB2MDM2LRRK2
SCHEMBL5377025 0.89 RET (0.54) RETMAPTHPGDPIM1PDGFRB
SCHEMBL7134871 0.87 RET (0.44) RETMAPTHPGDPDGFRBERBB2
SCHEMBL5367625 0.87 METAP1 (0.56) RETMAPTHPGDPIM1PIM2
SCHEMBL5358699 0.87 GSK3B (0.45) RETMAPTHPGDPDGFRBERBB2
SCHEMBL7137405 0.87 IGF1R (0.45) RETMAPTPIM1PIM2PDGFRB
SCHEMBL7136100 0.87 RET (0.67) RETMAPTHPGDPIM1PDGFRB
SCHEMBL7132867 0.87 PDGFRB (0.55) RETPIM1PDGFRBERBB2MEN1
SCHEMBL7137036 0.84 METAP1 (0.56) RETMAPTMEN1KMT2AKDM4E
SCHEMBL7136206 0.83 RET (0.50) RETMAPTHPGDPDGFRBERBB2

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