SCHEMBL2955237

SCHEMBL2955237

COC(=O)c1ccc(C2=NC(c3cc(-c4ccc(C(=O)OC)cc4)ccc3-c3ccccc3)(C3(c4ccccc4-c4ccccc4)N=C(c4ccc(C(=O)OC)cc4)C(c4ccc(C(=O)OC)cc4)=N3)N=C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
PDK2 Q15119 7/20 0.42
ALDH1A1 P00352 2/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH1A2 O94788 1/20 0.40
SGK1 O00141 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SLC2A1 P11166 1/20 0.39
PTGS2 P35354 1/20 0.39
PTPN1 P18031 2/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL2497787 0.85 EGFR (0.52) EGFRPDK2ALDH1A1ALDH1A3ALDH1A2
SCHEMBL2496668 0.73 PDK2 (0.50) EGFRPDK2ALDH1A1PTPN1
SCHEMBL2496334 0.73 PARP10 (0.41) EGFRALDH1A1
SCHEMBL2493563 0.71 TSHR (0.45) EGFRALDH1A1SLC2A1PTPN1PTPRC
SCHEMBL2233605 0.71
SCHEMBL8668402 0.70 RAB9A (0.48) EGFRALDH1A1PTPN1PTPRCPTPRF
SCHEMBL8663910 0.70 TSHR (0.44) EGFRALDH1A1PTPN1
SCHEMBL8078179 0.70 TSHR (0.44) EGFRPDK2ALDH1A1PTPN1PTPRC
SCHEMBL2492082 0.69 TSHR (0.42) EGFRALDH1A1PTPN1PTPRCPTPRF
SCHEMBL2451533 0.68 EGFR (0.39) EGFRALDH1A1CDC25B

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-7758930-B2 Curable resin composition, curable resin composition for forming photosensitive pattern, color filter, liquid crystal panel substrate and liquid crystal panel DAI NIPPON PRINTING CO., LTD. (JP) 2010-07-20 US disclosed
US-20090202749-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION FOR FORMING PHOTOSENSITIVE PATTERN, COLOR FILTER, LIQUID CRYSTAL PANEL SUBSTRATE AND LIQUID CRYSTAL PANEL HAYASHI SHINJI 2009-08-13 US disclosed