SCHEMBL10327338

SCHEMBL10327338

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ AHR P35869 1/20 0.41

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
SCHEMBL10327450 0.91 HPGD (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL12946791 0.89 HPGD (0.51) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL10327490 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL3459036 0.83 KMT2A (0.49) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL10327506 0.82 SMN1; SMN2 (0.47) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL10327476 0.81 SMN1; SMN2 (0.45) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL10327119 0.80 LMNA (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10327048 0.75 SMN1; SMN2 (0.55) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL964493 0.75 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL10327240 0.74 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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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