SCHEMBL9403591

SCHEMBL9403591

CC(Cl)c1ncnc(NC(C)c2ccc(OC(F)F)cc2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
IDH1 O75874 3/20 0.36
PDE2A O00408 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34

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
SCHEMBL8024509 0.93 EGFR (0.40) EGFRMEN1KMT2ACNR1CNR2
SCHEMBL8030576 0.89 IDH1 (0.39) EGFRMEN1KMT2ACNR1CNR2
SCHEMBL9728970 0.85 EGFR (0.40) EGFRMEN1KMT2ACNR1CNR2
SCHEMBL9403599 0.83 PDE2A (0.37) EGFRMEN1KMT2AIDH1PDE2A
SCHEMBL9364376 0.83 GALR3 (0.44) EGFRGALR3NR2F2TNFRAB9A
SCHEMBL9729823 0.82 EGFR (0.39) EGFRMEN1KMT2ACNR1CNR2
SCHEMBL8024930 0.81 EGFR (0.48) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL9403592 0.80 GALR3 (0.55) EGFRGALR3NR2F2TNFRAB9A
SCHEMBL8025390 0.79 EGFR (0.42) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL8025137 0.79 EGFR (0.37) EGFRMEN1KMT2A

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
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US claimed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP claimed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US disclosed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP disclosed