SCHEMBL3459036

SCHEMBL3459036

CSc1nc(N)nc(NC(=O)C(C)(C)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL12946791 0.93 HPGD (0.51) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL968750 0.84 KMT2A (0.52) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10181157 0.84 KMT2A (0.47) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10180464 0.84 KMT2A (0.47) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10327450 0.83 HPGD (0.42) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL964493 0.83 ALDH1A1 (0.51) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10327338 0.83 ALDH1A1 (0.43) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL968748 0.83 KMT2A (0.57) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL14421501 0.82 SMN1; SMN2 (0.49) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10180462 0.82 SMN1; SMN2 (0.49) KMT2AHPGDMEN1PKMSMN1; 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 2 patents. 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 claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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