SCHEMBL10327384

SCHEMBL10327384

CSc1nc(N)nc(N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 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
SCHEMBL963935 0.88 KMT2A (0.55) LMNAMAPTKMT2ATP53MEN1
SCHEMBL10327149 0.82 LMNA (0.53) LMNAMAPTKMT2ATP53MEN1
SCHEMBL10327506 0.80 SMN1; SMN2 (0.47) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL10327048 0.80 SMN1; SMN2 (0.55) LMNAMAPTKMT2ATP53MEN1
SCHEMBL10327331 0.79 SMN1; SMN2 (0.51) LMNAMAPTKMT2ATP53MEN1
SCHEMBL10327463 0.76 LMNA (0.46) LMNAMAPTKMT2ATP53MEN1
SCHEMBL10327490 0.75 ALDH1A1 (0.53) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL10327465 0.75 TRPV4 (0.40) LMNAMAPTKMT2ATP53MEN1
SCHEMBL966073 0.75 SMN1; SMN2 (0.46) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL963343 0.75 KMT2A (0.50) LMNAMAPTKMT2ATP53MEN1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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