SCHEMBL21801932

SCHEMBL21801932

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ERBB3 P21860 1/20 1.00
DUS2 Q9NX74 1/20 1.00
ERBB2 P04626 7/20 0.77
KDR P35968 1/20 0.76
ERBB4 Q15303 4/20 0.76
JAK3 P52333 2/20 0.71
HDAC3 O15379 1/20 0.70
HDAC4 P56524 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC9 Q9UKV0 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
GAK O14976 1/20 0.69
RIPK2 O43353 1/20 0.69

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
SCHEMBL29617536 1.00 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL29478966 1.00 EGFR (1.00) EGFRERBB3DUS2ERBB2KDR
SCHEMBL19480001 0.91 EGFR (0.83) EGFRERBB3DUS2ERBB2KDR
SCHEMBL29731552 0.90 EGFR (0.82) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL22847994 0.90 EGFR (0.82) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL30474633 0.89 EGFR (0.81) EGFRERBB3DUS2ERBB2KDR
SCHEMBL19185507 0.89 EGFR (0.81) EGFRERBB3DUS2ERBB2KDR
SCHEMBL25649216 0.88 EGFR (0.78) EGFRERBB3DUS2ERBB2KDR
SCHEMBL25829 0.88 EGFR (0.80) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL18862642 0.88 EGFR (0.80) EGFRERBB3DUS2ERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849538-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2021-07-21 EP claimed
WO-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 WO claimed
EP-3849538-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2021-07-21 EP disclosed
WO-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 WO disclosed