SCHEMBL8310628

SCHEMBL8310628

Cc1nc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2nc1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.67
FBP1 P09467 2/20 0.67
KDR P35968 2/20 0.67
AURKA O14965 1/20 0.67
ERBB2 P04626 1/20 0.67
INSR P06213 1/20 0.67
PDGFRB P09619 1/20 0.67
FLT4 P35916 1/20 0.67
CLK1 P49759 1/20 0.67
EPHB4 P54760 1/20 0.67
TEK Q02763 1/20 0.67
AURKB Q96GD4 1/20 0.67
GRM1 Q13255 1/20 0.62

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
SCHEMBL12788058 0.86 EGFR (0.72) EGFRFBP1KDRAURKAERBB2
SCHEMBL28403915 0.84 EGFR (0.74) EGFRFBP1KDRAURKAERBB2
SCHEMBL21083167 0.82 EGFR (0.75) EGFRFBP1KDRAURKAERBB2
SCHEMBL12788062 0.82 EGFR (0.66) EGFRFBP1KDRAURKAERBB2
SCHEMBL14444601 0.82 EGFR (0.66) EGFRFBP1KDRAURKAERBB2
SCHEMBL7543155 0.81 GRM1 (0.74) EGFRFBP1KDRAURKAERBB2
SCHEMBL8311292 0.81 EGFR (0.77) EGFRFBP1KDRAURKAERBB2
SCHEMBL5843772 0.81 EGFR (0.69) EGFRFBP1KDRAURKAERBB2
Hydrochloric Acid SCHEMBL7537987 0.81 GRM1 (0.72) EGFRFBP1KDRAURKAERBB2
SCHEMBL7802281 0.81 EGFR (0.67) EGFRFBP1KDRAURKAERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635507-B1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LTD (GB) 1999-09-15 EP claimed
US-5569658-A Tricyclic derivatives ZENECA LIMITED (GB) 1996-10-29 US claimed
EP-0635507-A1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 EP claimed
EP-0635507-B1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LTD (GB) 1999-09-15 EP disclosed
US-5569658-A Tricyclic derivatives ZENECA LIMITED (GB) 1996-10-29 US disclosed
EP-0635507-A1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 EP disclosed