SCHEMBL7139579

SCHEMBL7139579

Cc1c(Br)cc(Br)c2c1C(=Cc1ccnc3ccccc13)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.38
FLT3 P36888 1/20 0.38
ACVR1 Q04771 6/20 0.37
RAF1 P04049 2/20 0.36
BMPR1B O00238 1/20 0.36
BRAF P15056 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL7134339 0.83 RET (0.45) RETFLT3ACVR1RAF1BMPR1B
SCHEMBL7130494 0.80 CYP11B2 (0.38) RETFLT3ACVR1RAF1CYP11B2
SCHEMBL7138169 0.80 POLB (0.42) RETFLT3RAF1ALDH1A1CYP1A2
SCHEMBL7136829 0.79 GSK3B (0.50) RAF1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7139425 0.79 KMT2A (0.49) RETFLT3ALDH1A1CYP1A2MEN1
SCHEMBL7138232 0.78 NTRK1 (0.52) RETFLT3ALDH1A1HPGDMEN1
SCHEMBL7137055 0.77 GSK3B (0.49) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7138946 0.77 NPC1 (0.48) FLT3RAF1ALDH1A1HPGDMEN1
SCHEMBL7134752 0.77 PLK4 (0.48) RAF1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7134889 0.77 DYRK1A (0.39) ALDH1A1MEN1MAPTKMT2AMAPK1

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