SCHEMBL10181157

SCHEMBL10181157

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 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
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HSD17B10 Q99714 3/20 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
SCHEMBL10180464 1.00 KMT2A (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10181156 0.93 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL14421501 0.93 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10180462 0.93 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL3459095 0.89 PIK3CD (0.48) SMN1; SMN2ALDH1A1KDM4EPIK3CDPIK3R1
SCHEMBL10180407 0.88 MEN1 (0.40) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL3460778 0.88 KDM4E (0.41) SMN1; SMN2LMNAALDH1A1KDM4EPIK3CD
SCHEMBL964955 0.88 MEN1 (0.48) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL3459112 0.87 HPGD (0.46) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL964364 0.86 KMT2A (0.45) 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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