SCHEMBL8344331

SCHEMBL8344331

Cc1cnc(-c2ccc(F)cc2)nc1Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 3/20 0.47
MAPK14 Q16539 2/20 0.46
TGFBR1 P36897 1/20 0.46
CYP1A2 P05177 7/20 0.44
CYP3A4 P08684 6/20 0.44
CYP2C19 P33261 6/20 0.44
LMNA P02545 5/20 0.44
CYP2D6 P10635 5/20 0.44
KDM4E B2RXH2 4/20 0.44
USP2 O75604 4/20 0.44
HPGD P15428 4/20 0.44
CYP2C9 P11712 3/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
TP53 P04637 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL8344343 0.87 LATS1 (0.43) LATS1MAPK14TGFBR1CYP1A2CYP3A4
SCHEMBL8348074 0.87 TGFBR1 (0.57) LATS1MAPK14TGFBR1CYP1A2CYP3A4
SCHEMBL8347042 0.85 LMNA (0.46) LATS1MAPK14TGFBR1CYP1A2CYP3A4
SCHEMBL8348078 0.85 LATS1 (0.56) LATS1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL8345669 0.80 CYP1A2 (0.50) MAPK14TGFBR1CYP1A2CYP3A4CYP2C19
SCHEMBL18114540 0.78 ROCK2 (0.43) PIK3CA
SCHEMBL8347942 0.77 CYP1A2 (0.64) MAPK14TGFBR1CYP1A2CYP3A4CYP2C19
SCHEMBL8345684 0.77 TGFBR1 (0.63) TGFBR1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL8348077 0.76 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19LMNACYP2D6
SCHEMBL8344336 0.74 CYP1A2 (0.60) MAPK14TGFBR1CYP1A2CYP3A4CYP2C19

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-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed