SCHEMBL7465263

SCHEMBL7465263

CNC(=O)/C=C(\c1ccccc1)c1cc(F)cc(C(F)(F)F)c1-n1ccnc1N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7475682 0.87 CYP2C9 (0.33) NTRK1SCN9A
SCHEMBL7475914 0.84 MAPK14 (0.41) MAPK14KMT2AMRGPRX4NR1H2NR1H3
SCHEMBL7480550 0.80 KDM4E (0.35) HTTHSD17B10
SCHEMBL7478426 0.78 MAPK14 (0.36) MAPK14KMT2A
SCHEMBL7469263 0.76 GRM4 (0.34) MAPK14
SCHEMBL7463562 0.72 NR1H2 (0.47) KMT2AMRGPRX4NR1H2NR1H3SCN9A
SCHEMBL7475655 0.72 CYP2C9 (0.34) KMT2A
SCHEMBL7477958 0.72 CYP2D6 (0.33) KMT2A
SCHEMBL7472346 0.71 LMNA (0.36) NTRK1MAPK14KMT2ANR1H2NR1H3
SCHEMBL7472090 0.69 CYP2C9 (0.37) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
Send feedback