SCHEMBL7913375

SCHEMBL7913375

COc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.62
ABCG2 Q9UNQ0 5/20 0.49
EGFR P00533 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FYN P06241 1/20 0.46
CA9 Q16790 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
APP P05067 1/20 0.45
LMNA P02545 2/20 0.45
PDGFRB P09619 1/20 0.44

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
SCHEMBL7912186 0.86 MAPT (0.55) KDREGFRTP53MAPTCA1
SCHEMBL7913328 0.85 KDR (0.69) KDRABCG2TP53MAPTCA1
SCHEMBL7918683 0.84 KDR (0.60) KDRABCG2EGFRTP53MAPT
SCHEMBL7914911 0.78 MEN1 (0.52) TP53MAPTLMNA
SCHEMBL7913393 0.78 EGFR (0.47) KDREGFRMAPTCA9LMNA
SCHEMBL7913392 0.77 ABCG2 (0.58) KDRABCG2EGFRTP53MAPT
SCHEMBL8014060 0.77 MAPT (0.66) KDRABCG2EGFRMAPTCA9
SCHEMBL7918376 0.75 KDR (0.44) KDREGFRTP53MAPTCA1
SCHEMBL7913364 0.75 KDR (0.58) KDRABCG2EGFRTP53MAPT
SCHEMBL7905464 0.75 MAPT (0.63) KDRTP53MAPTCA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed