SCHEMBL7979940

SCHEMBL7979940

CCOC(=O)c1ccc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3cc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.64
ERBB2 P04626 1/20 0.64
RET P07949 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KDR P35968 10/20 0.51
BRAF P15056 3/20 0.50
RAF1 P04049 2/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL7976817 0.87 HPGD (0.62) EGFRERBB2KDM4EALDH1A1HPGD
SCHEMBL7980026 0.86 EGFR (0.63) EGFRERBB2RETKDR
SCHEMBL7978595 0.84 EGFR (0.62) EGFRERBB2RETKDRBRAF
SCHEMBL7980461 0.84 EGFR (0.61) EGFRERBB2RETKDRBRAF
SCHEMBL7980714 0.82 EGFR (0.61) EGFRERBB2RETKDRBRAF
SCHEMBL7982980 0.82 EGFR (0.61) EGFRERBB2RETKDRBRAF
SCHEMBL7978778 0.81 EGFR (0.60) EGFRERBB2RETKDRBRAF
SCHEMBL7980372 0.81 EGFR (0.60) EGFRERBB2RETKDRBRAF
SCHEMBL7978607 0.80 EGFR (0.60) EGFRERBB2RETKDRBRAF
SCHEMBL6662871 0.80 KDR (0.77) EGFRRETKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed