SCHEMBL10967231

SCHEMBL10967231

O=C(O)C(=CNc1ncnc2ccc(NC(=O)C3CCCCC3)cc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
MAP4K4 O95819 2/20 0.48
GBA1 P04062 1/20 0.44
GLA P06280 1/20 0.44
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
PTPN1 P18031 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10973642 0.89 EGFR (0.58) EGFRMAP4K4GBA1GLAAURKA
SCHEMBL10968108 0.82 NPC1 (0.48) EGFRGBA1FYN
SCHEMBL11099106 0.82 EGFR (0.59) EGFRMAP4K4GBA1GLAFYN
SCHEMBL10967478 0.81 EGFR (0.56) EGFRMAP4K4FYNSRC
SCHEMBL10971936 0.79 FYN (0.46) EGFRFYNSRC
SCHEMBL10970261 0.78 FYN (0.52) EGFRFYNSRCAURKAAURKB
SCHEMBL10966607 0.78 EGFR (0.48) EGFRMAP4K4FYNSRC
SCHEMBL10967809 0.78 FYN (0.60) EGFRMAP4K4FYNSRC
SCHEMBL10970610 0.78 FYN (0.48) EGFRFYNSRC
SCHEMBL10972811 0.78 MAP4K4 (0.73) EGFRMAP4K4PTPN1

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