SCHEMBL15214852

SCHEMBL15214852

Cc1ccc(-c2csc3c(NC(C)C)ncnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 3/20 0.42
▸ CSNK2A2 P19784 3/20 0.41
▸ CSNK2B P67870 3/20 0.41
▸ CSNK2A1 P68400 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GRM1 Q13255 3/20 0.41
▸ FGFR1 P11362 3/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CD38 P28907 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL15214864 0.88 LPAR2 (0.40) LPAR2MAPTALDH1A1CD38CYP17A1
SCHEMBL2477392 0.88 MAPK1 (0.41) LPAR2FGFR1MAPTMEN1KMT2A
SCHEMBL10227131 0.86 LPAR2 (0.41) LPAR2CD38
SCHEMBL10176269 0.86 LPAR2 (0.39) LPAR2TP53ALDH1A1CD38CYP17A1
SCHEMBL27410321 0.78 LPAR2 (0.51) LPAR2MAPTPKM
SCHEMBL2476576 0.75 LMNA (0.43) LPAR2CD38LMNASMN1; SMN2HTT
SCHEMBL15214860 0.74 LMNA (0.52) LPAR2ATML3MBTL1MEN1KMT2A
SCHEMBL30808044 0.71 PDPK1 (0.48) LPAR2CSNK2A2CSNK2BCSNK2A1GRM1
SCHEMBL22750924 0.69 LMNA (0.51) TP53GRM1FGFR1MAPTMEN1
SCHEMBL14478872 0.66 FGFR1 (0.60) CSNK2A2CSNK2BCSNK2A1FGFR1MAPT

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
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
Send feedback