SCHEMBL10241382

SCHEMBL10241382

CNc1nc(N/N=C/c2ccc(OC(F)(F)F)cc2)nc(-c2c(F)cccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MET P08581 1/20 0.44
ROS1 P08922 1/20 0.44
ALK Q9UM73 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
TYK2 P29597 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL416607 1.00 EGFR (0.44) EGFRMETROS1ALKMEN1
SCHEMBL416608 1.00 EGFR (0.44) EGFRMETROS1ALKMEN1
SCHEMBL415934 0.91 EGFR (0.41) EGFRMETROS1ALKMEN1
SCHEMBL417506 0.91 EGFR (0.41) EGFRMETROS1ALKMEN1
SCHEMBL10241402 0.91 EGFR (0.41) EGFRMETROS1ALKMEN1
SCHEMBL415361 0.89 EGFR (0.47) EGFRMETROS1ALKMEN1
SCHEMBL413680 0.89 EGFR (0.47) EGFRMETROS1ALKMEN1
SCHEMBL17836755 0.89 EGFR (0.47) EGFRMETROS1ALKMEN1
SCHEMBL10241401 0.88 CA12 (0.45) EGFRMETROS1ALKMEN1
SCHEMBL417692 0.88 CA12 (0.45) EGFRMETROS1ALKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed
WO-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 WO disclosed