SCHEMBL16360409

SCHEMBL16360409

O=C(I)Nc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
SLC6A2 P23975 12/20 0.39
SLC6A4 P31645 12/20 0.39
SLC6A3 Q01959 12/20 0.39

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
SCHEMBL2809268 0.89 FGFR1 (0.47) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2804835 0.85 FGFR1 (0.49) FGFR1FGFR2CYP1A2CYP3A4CYP2C19
SCHEMBL2809551 0.85 FGFR1 (0.49) FGFR1FGFR2CYP1A2CYP3A4CYP2C19
SCHEMBL2804218 0.85 FGFR1 (0.49) FGFR1FGFR2CYP1A2CYP3A4CYP2C19
SCHEMBL2803624 0.85 FGFR1 (0.42) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2804806 0.84 FGFR1 (0.46) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2803882 0.84 FGFR1 (0.42) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2802550 0.84 FGFR1 (0.42) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2802852 0.83 FGFR1 (0.41) FGFR1FGFR2KDM4EHPGDCYP1A2
SCHEMBL2490169 0.83 FGFR1 (0.50) FGFR1FGFR2CYP1A2CYP3A4CYP2C19

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-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed