SCHEMBL3461566

SCHEMBL3461566

CSc1nc(N)nc(NC(=O)[C@H](C)Nc2cccc(C(=O)N3CCN(C)CC3)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ ADORA2A P29274 2/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK1 P06493 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
SCHEMBL3461565 0.94 KMT2A (0.43) KMT2AMEN1PKMHPGDLMNA
SCHEMBL964955 0.83 MEN1 (0.48) KMT2AMEN1PKMHPGDLMNA
SCHEMBL10181157 0.79 KMT2A (0.47) KMT2AMEN1PKMHPGDLMNA
SCHEMBL10180464 0.79 KMT2A (0.47) KMT2AMEN1PKMHPGDLMNA
SCHEMBL966640 0.78 KMT2A (0.45) KMT2AMEN1PKMHPGDLMNA
SCHEMBL964953 0.76 MEN1 (0.51) KMT2AMEN1PKMHPGDLMNA
SCHEMBL10180897 0.73 HPGD (0.42) KMT2AMEN1PKMHPGDLMNA
SCHEMBL12946902 0.73 MEN1 (0.48) KMT2AMEN1PKMHPGDLMNA
SCHEMBL12947108 0.72 MEN1 (0.51) KMT2AMEN1PKMHPGDLMNA
SCHEMBL10180462 0.72 SMN1; SMN2 (0.49) KMT2AMEN1PKMHPGDLMNA

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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