SCHEMBL18814767

SCHEMBL18814767

COC1NCc2cc(Nc3ccncn3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 14/20 0.53
▸ MKNK2 Q9HBH9 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ EIF4E P06730 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL18815025 0.71 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2EIF4E
SCHEMBL18797844 0.71 MKNK1 (0.59) MKNK1MKNK2EGFRERBB2EIF4E
SCHEMBL18786719 0.69 MKNK1 (1.00) MKNK1MKNK2EIF4E
SCHEMBL18814801 0.67 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2
SCHEMBL30062475 0.67 MEN1 (0.67) SMN1; SMN2EGFRMEN1KMT2ANPC1
SCHEMBL18786622 0.67 MKNK1 (0.59) MKNK1MKNK2EIF4E
SCHEMBL18786706 0.67 MKNK1 (1.00) MKNK1MKNK2EIF4E
SCHEMBL18786784 0.67 MKNK1 (0.69) MKNK1MKNK2EIF4E
SCHEMBL18797824 0.67 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2EIF4E
SCHEMBL28243138 0.67 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2

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
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 — — WO disclosed
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