SCHEMBL27613089

SCHEMBL27613089

O/C=C(\F)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.58
▸ MKNK2 Q9HBH9 4/20 0.58
▸ CYP2A6 P11509 3/20 0.54
▸ WNT3A P56704 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KDR P35968 2/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ LTK P29376 1/20 0.45

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
SCHEMBL27612999 0.82 CYP17A1 (0.42) WNT3ACYP3A4LMNAKIF11CYP11B2
SCHEMBL27594282 0.76 DYRK1A (0.51) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL31338446 0.76 LMNA (0.67) MKNK1MKNK2CYP2A6WNT3ACYP3A4
SCHEMBL2385420 0.76 LMNA (0.67) MKNK1MKNK2CYP2A6WNT3ACYP3A4
SCHEMBL27594249 0.76 ADRB2 (0.50) CYP2A6WNT3ACLK4LMNA
SCHEMBL12251218 0.75 MKNK1 (0.58) MKNK1MKNK2CYP2A6WNT3ACYP3A4
SCHEMBL27612848 0.75 CYP2A6 (0.61) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL30462079 0.74 MKNK1 (1.00) MKNK1MKNK2CYP2A6WNT3ACYP3A4
SCHEMBL6212482 0.74 MKNK1 (1.00) MKNK1MKNK2CYP2A6WNT3ACYP3A4
SCHEMBL8807174 0.74 CYP2A6 (0.67) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
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