SCHEMBL10180495

SCHEMBL10180495

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL3459516 0.88 MAPK8 (0.41) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL965942 0.85 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL964349 0.83 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL963698 0.83 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL12915953 0.83 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL964525 0.82 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL12915786 0.82 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL963700 0.81 KMT2A (0.54) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL967015 0.81 KMT2A (0.56) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL12947041 0.80 KMT2A (0.48) KMT2ASMN1; SMN2MEN1PKMHPGD

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 claimed
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