SCHEMBL10181763

SCHEMBL10181763

[CH2][C@H](Nc1nc(N)nc(SC)c1C#N)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ PKM P14618 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 5/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL14421501 0.90 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL10181156 0.90 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL10180462 0.90 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL12946842 0.86 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL964362 0.85 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL3461159 0.85 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL10181417 0.85 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL10180464 0.85 KMT2A (0.47) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL10181157 0.85 KMT2A (0.47) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL12947124 0.84 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MEN1PKMLMNA

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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