SCHEMBL10180839

SCHEMBL10180839

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ PKM P14618 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 5/20 0.43
▸ TP53 P04637 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ USP2 O75604 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
SCHEMBL3461159 0.89 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL10181417 0.87 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL12947041 0.87 KMT2A (0.48) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL965968 0.85 KMT2A (0.55) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL964362 0.84 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL12946922 0.84 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL12947124 0.83 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL3459376 0.83 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL964825 0.83 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNAMEN1PKM
SCHEMBL968748 0.83 KMT2A (0.57) KMT2ASMN1; SMN2LMNAMEN1PKM

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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