SCHEMBL7744970

SCHEMBL7744970

Ic1nn(Cc2nc3ccccc3n2CCCc2nn[nH]n2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.47
TCF4 P15884 1/20 0.40
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
LTB4R Q15722 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL7745217 0.89 AGTR1 (0.39) CTNNB1TCF4AGTR1AGTR2MEN1
SCHEMBL8365513 0.77 TP53 (0.45) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7747798 0.77 MEN1 (0.41) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7740409 0.75 MEN1 (0.42) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7745460 0.74 TSHR (0.61) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7745467 0.74 TOP2A (0.49) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7740405 0.74 KDM4E (0.43) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7745824 0.74 MEN1 (0.40) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7745216 0.73 TSHR (0.50) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL7745475 0.72 AKR1B1 (0.41) MEN1USP2KMT2AL3MBTL1TSHR

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed