SCHEMBL7796162

SCHEMBL7796162

COc1ccc(OC)c(C#Cc2ccc3ncncc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.63
FGFR4 P22455 1/20 0.46
DHFR P00374 2/20 0.45
HPGDS O60760 1/20 0.42
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
NQO1 P15559 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
MELK Q14680 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
YES1 P07947 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
HIPK1 Q86Z02 1/20 0.35

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
SCHEMBL8438744 0.83 EGFR (0.58) EGFRFGFR4DHFRPDGFRBPDGFRA
SCHEMBL8438748 0.82 DHFR (0.45) EGFRDHFRHPGDSPDGFRBPDGFRA
SCHEMBL3372138 0.79 EGFR (1.00) EGFRFGFR4HPGDSPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL28032872 0.78 EGFR (0.96) EGFRFGFR4HPGDSPDGFRBPDGFRA
SCHEMBL7803054 0.78 DHFR (0.42) EGFRDHFRALDH1A1HPGDMAPK1
SCHEMBL7796228 0.78 CSF1R (0.42) EGFRDHFRPDGFRBPDGFRAHAO1
SCHEMBL7804848 0.75 EGFR (0.68) EGFRFGFR4DHFRPDGFRBPDGFRA
SCHEMBL7804802 0.75 MTNR1A (0.44) EGFRDHFRALDH1A1HPGDMAPK1
SCHEMBL7804088 0.75 ALDH1A1 (0.54) EGFRALDH1A1HPGDMAPK1
SCHEMBL7802234 0.74 CYP1A2 (0.43) EGFRDHFRPDGFRBALDH1A1KDR

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-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 WO disclosed