SCHEMBL10327119

SCHEMBL10327119

CSc1nc(N)nc(NC2(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ FAAH O00519 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GRM5 P41594 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
SCHEMBL966091 0.88 KMT2A (0.48) LMNAFAAHTRPV1SMN1; SMN2TP53
SCHEMBL10327490 0.81 ALDH1A1 (0.53) LMNASMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL10327151 0.80 LMNA (0.45) LMNAFAAHTRPV1SMN1; SMN2TP53
SCHEMBL10327338 0.80 ALDH1A1 (0.43) LMNASMN1; SMN2TP53KMT2AMEN1
SCHEMBL10327506 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10327476 0.79 SMN1; SMN2 (0.45) LMNASMN1; SMN2TP53KMT2AMEN1
SCHEMBL10327240 0.74 SMN1; SMN2 (0.46) LMNASMN1; SMN2TP53KMT2AMEN1
SCHEMBL10327382 0.74 SMN1; SMN2 (0.46) LMNASMN1; SMN2TP53KMT2AMEN1
SCHEMBL10327385 0.74 LMNA (0.46) LMNAKMT2A
SCHEMBL964852 0.73 SMN1; SMN2 (0.47) LMNAFAAHTRPV1SMN1; SMN2TP53

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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