SCHEMBL10327353

SCHEMBL10327353

CSc1nc(N)nc(O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.41
▸ KDR P35968 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL10327382 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10327240 0.91 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL964525 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL12915786 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10327509 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10327048 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL10327476 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10327151 0.80 LMNA (0.45) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL964349 0.79 KMT2A (0.49) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL963698 0.79 KMT2A (0.49) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2

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 disclosed
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