SCHEMBL4086994

SCHEMBL4086994

Cc1nccn1Cc1ccccc1N

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.43
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
MAPT P10636 1/20 0.40
AGER Q15109 1/20 0.40
KCNH2 Q12809 1/20 0.40
FDPS P14324 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL29900980 0.88 LMNA (0.51) LMNAL3MBTL1TSHRADRA2CALDH1A1
SCHEMBL30613500 0.83 ADRA2C (0.58) LMNAL3MBTL1ADRA2CALDH1A1POLB
SCHEMBL5415267 0.78 KCNH2 (0.50) LMNAL3MBTL1TSHRALDH1A1POLB
SCHEMBL14610381 0.78 KCNH2 (0.49) LMNAL3MBTL1TSHRALDH1A1POLB
SCHEMBL13310580 0.78 LMNA (0.43) LMNAL3MBTL1ADRA2CALDH1A1POLB
SCHEMBL29994960 0.78 POLB (0.56) LMNAL3MBTL1TSHRALDH1A1POLB
SCHEMBL15929449 0.78 ALDH1A1 (0.51) LMNATSHRALDH1A1KMT2AKCNH2
SCHEMBL4651250 0.78 LMNA (0.47) LMNAL3MBTL1ADRA2CALDH1A1POLB
SCHEMBL12653659 0.77 LMNA (0.45) LMNAL3MBTL1ADRA2CALDH1A1POLB
SCHEMBL1839002 0.76 LMNA (0.52) LMNAL3MBTL1ALDH1A1CYP11B1CYP11B2

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed