SCHEMBL10327151

SCHEMBL10327151

CSc1nc(N)nc(OC2(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ FAAH O00519 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CDK8 P49336 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 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
SCHEMBL964852 0.89 SMN1; SMN2 (0.47) LMNASMN1; SMN2TP53FAAHTRPV1
SCHEMBL10327119 0.80 LMNA (0.48) LMNASMN1; SMN2TP53FAAHTRPV1
SCHEMBL10327048 0.80 SMN1; SMN2 (0.55) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10327353 0.80 SMN1; SMN2 (0.41) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10327240 0.79 SMN1; SMN2 (0.46) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10327382 0.79 SMN1; SMN2 (0.46) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10327490 0.74 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1MAPTCDK8
SCHEMBL966091 0.73 KMT2A (0.48) LMNASMN1; SMN2TP53FAAHTRPV1
SCHEMBL10327338 0.73 ALDH1A1 (0.43) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL10327506 0.73 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1MAPTMEN1

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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