SCHEMBL10180407

SCHEMBL10180407

CSc1nc(N)nc(NC(=O)[C@H](C)Nc2cc(N)cc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ LMNA P02545 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 9/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ HSD17B10 Q99714 3/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35

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
SCHEMBL10180403 0.93 MEN1 (0.40) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10180464 0.88 KMT2A (0.47) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10181157 0.88 KMT2A (0.47) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL3459842 0.85 MEN1 (0.37) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10327387 0.85 MEN1 (0.40) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL3460273 0.84 BRAF (0.38) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL964532 0.83 MEN1 (0.39) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL964955 0.83 MEN1 (0.48) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10180462 0.83 SMN1; SMN2 (0.49) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL14421501 0.83 SMN1; SMN2 (0.49) MEN1KMT2ALMNAHPGDSMN1; SMN2

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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