SCHEMBL10975752

SCHEMBL10975752

CC(C)(C)C(=O)Nc1ccc2c(NC=C(C(=O)O)C(=O)O)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.43
MAP4K4 O95819 1/20 0.43
ERBB2 P04626 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CSF1R P07333 2/20 0.40
FYN P06241 3/20 0.39
SRC P12931 2/20 0.39
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL10966607 0.91 EGFR (0.48) EGFRMAP4K4ERBB2FYNSRC
SCHEMBL11099669 0.87 EGFR (0.56) EGFRMAP4K4ERBB2CSF1RMAPT
SCHEMBL10971652 0.80 EGFR (0.47) EGFRMAP4K4ERBB2FYNSRC
SCHEMBL11093656 0.79 KMT2A (0.44) EGFRERBB2L3MBTL1CSF1RMAPT
SCHEMBL10967478 0.78 EGFR (0.56) EGFRMAP4K4ERBB2FYNSRC
SCHEMBL10967392 0.77 FYN (0.52) EGFRERBB2FYNSRCKDR
SCHEMBL10966820 0.77 KDM4E (0.44) EGFRKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL11098890 0.77 EGFR (0.52) EGFRMAP4K4ERBB2L3MBTL1FYN
SCHEMBL11097903 0.76 EGFR (0.56) EGFRCSF1RMAPTKDM4ESMN1; SMN2
SCHEMBL10971103 0.75 MAP4K4 (0.65) EGFRMAP4K4L3MBTL1MAPTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0030156-A1 Quinazoline derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP disclosed