SCHEMBL7525155

SCHEMBL7525155

O=[N+]([O-])c1cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
MET P08581 1/20 0.46
CNR1 P21554 1/20 0.44
SERPINE1 P05121 3/20 0.42
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
LMNA P02545 1/20 0.42
HTR6 P50406 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7463091 0.90 USP10 (0.50) EGFRCNR1LMNAHTR6MAPT
SCHEMBL7475684 0.89 EGFR (0.53) EGFRMETLMNAHTR6MAPT
SCHEMBL7458928 0.88 EGFR (0.47) EGFRLMNAHTR6MAPTKMT2A
SCHEMBL7466331 0.88 ALDH1A1 (0.48) EGFRLMNAHTR6MEN1MAPT
SCHEMBL7465445 0.88 HTR6 (0.55) EGFRCNR1HTR6KMT2A
SCHEMBL7468826 0.88 EGFR (0.56) EGFRLMNAHTR6MAPTSMN1; SMN2
SCHEMBL7473662 0.87 USP10 (0.47) EGFRCNR1LMNAHTR6MAPT
SCHEMBL7465224 0.87 MAPT (0.44) EGFRMETLMNAHTR6MAPT
SCHEMBL7468699 0.87 PDE5A (0.44) EGFRLMNAHTR6MAPTKMT2A
SCHEMBL7459198 0.86 MEN1 (0.53) EGFRLMNAMEN1KMT2A

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed