SCHEMBL4082939

SCHEMBL4082939

CCc1nc2cccc(Br)c2n1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CRHR1 P34998 1/20 0.35
GRM2 Q14416 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.33
KCNH2 Q12809 2/20 0.33

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
SCHEMBL4081070 0.79 CSNK1E (0.36) TSHRMAPK1ALDH1A1LMNAKMT2A
SCHEMBL4091067 0.78 TSHR (0.37) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL4566262 0.75 TSHR (0.35) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL7721500 0.73 POLB (0.63) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL16318466 0.71 CRHR1 (0.42) POLBALDH1A1LMNAKMT2ACRHR1
SCHEMBL4725224 0.68 RAB9A (0.41) MAPK1POLBALDH1A1LMNAMEN1
SCHEMBL17994849 0.68 TP53 (0.35) TSHRMAPK1POLBALDH1A1MEN1
SCHEMBL31411154 0.67 TLR7 (0.63) POLBLMNAKCNH2
SCHEMBL31439915 0.66 PDE10A (0.41) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL31122306 0.65 GRM2 (0.39) MAPK1MEN1KMT2AGRM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed