SCHEMBL9775866

SCHEMBL9775866

CCOC(=O)c1cn(C(C)(C)C)c2nc3c(F)c(F)c(F)cc3cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL8941932 0.86 KMT2A (0.45) STAT3KMT2AALDH1A1TSHRTOP2A
SCHEMBL8942151 0.86 STAT3 (0.45) STAT3KMT2AALDH1A1TSHRHTT
SCHEMBL9775972 0.86 LMNA (0.42) STAT3KMT2AALDH1A1TSHRHTT
SCHEMBL9775932 0.85 ALDH1A1 (0.54) KMT2AALDH1A1TSHRHTTKDM4E
SCHEMBL9786144 0.83 KMT2A (0.47) STAT3KMT2AALDH1A1TSHRHTT
SCHEMBL501306 0.83 KMT2A (0.46) STAT3KMT2AALDH1A1TSHRTOP2A
SCHEMBL9775895 0.83 KMT2A (0.40) STAT3KMT2AALDH1A1TSHRTOP2A
SCHEMBL7230077 0.82 ADRB2 (0.50) STAT3KMT2AALDH1A1TSHRTOP2A
SCHEMBL2093801 0.81 KMT2A (0.44) STAT3KMT2AALDH1A1TSHRTOP2A
SCHEMBL10390918 0.81 BAZ2B (0.42) STAT3KMT2AALDH1A1TSHRKDM4E

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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed