SCHEMBL3459112

SCHEMBL3459112

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 3/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.37

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
SCHEMBL12946842 0.94 SMN1; SMN2 (0.47) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL964364 0.88 KMT2A (0.45) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL3459382 0.87 HPGD (0.44) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL964828 0.87 HPGD (0.44) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL3460495 0.87 KDM4E (0.38) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL10180464 0.87 KMT2A (0.47) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL10181157 0.87 KMT2A (0.47) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL3460097 0.86 MAPK8 (0.40) KMT2AMEN1ALDH1A1POLBNPSR1
SCHEMBL10180841 0.85 KMT2A (0.43) HPGDKMT2ASMN1; SMN2PKMMEN1
SCHEMBL966008 0.85 KMT2A (0.42) HPGDKMT2ASMN1; SMN2PKMMEN1

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 3 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 claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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