SCHEMBL15214864

SCHEMBL15214864

CC(C)Nc1ncnc2c(-c3ccc(I)cc3)csc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 7/20 0.40
▸ CD38 P28907 1/20 0.40
▸ CYP17A1 P05093 1/20 0.34
▸ LPAR1 Q92633 3/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ EGFR P00533 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL15214852 0.88 LPAR2 (0.42) LPAR2CD38CYP17A1LMNAHTT
SCHEMBL2477392 0.87 MAPK1 (0.41) LPAR2CD38CYP17A1GPR119LMNA
SCHEMBL10176269 0.85 LPAR2 (0.39) LPAR2CD38CYP17A1GPR119PDE4B
SCHEMBL2476576 0.74 LMNA (0.43) LPAR2CD38LPAR1LMNAHTT
SCHEMBL27410321 0.74 LPAR2 (0.51) LPAR2LPAR1MAPT
SCHEMBL30808044 0.71 PDPK1 (0.48) LPAR2CYP17A1LMNAEGFRALDH1A1
SCHEMBL22750924 0.68 LMNA (0.51) LMNAHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL14478872 0.65 FGFR1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30715861 0.63 PDE4B (0.51) LPAR2CD38LPAR1PDE4BPDE7A
SCHEMBL27409928 0.63 PDE4B (0.51) LPAR2CD38LPAR1PDE4BPDE7A

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