SCHEMBL7745217

SCHEMBL7745217

Ic1nn(Cc2nc3ccccc3n2Cc2nn[nH]n2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PARP1 P09874 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CTNNB1 P35222 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TCF4 P15884 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
NR1I2 O75469 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
SCHEMBL7744970 0.89 CTNNB1 (0.47) AGTR1AGTR2MEN1KMT2ACTNNB1
SCHEMBL7745482 0.75 LMNA (0.47) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL7740405 0.74 KDM4E (0.43) MEN1KMT2ALMNAPOLBGAA
SCHEMBL7745467 0.74 TOP2A (0.49) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7745460 0.74 TSHR (0.61) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7745216 0.73 TSHR (0.50) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7745475 0.72 AKR1B1 (0.41) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7745019 0.72 KDM4E (0.47) KMT2ALMNAALDH1A1POLBHPGD
SCHEMBL8365513 0.72 TP53 (0.45) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7747798 0.72 MEN1 (0.41) MEN1KMT2ALMNAPOLBHPGD

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