SCHEMBL8506836

SCHEMBL8506836

CC(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ CNR1 P21554 5/20 0.43
▸ CNR2 P34972 4/20 0.43
▸ EGFR P00533 6/20 0.43
▸ FADS1 O60427 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.39

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
SCHEMBL8516559 0.88 GALR3 (0.45) GALR3NR2F2EGFRHTTABCG2
SCHEMBL8491653 0.88 EGFR (0.49) GALR3NR2F2CNR1CNR2EGFR
SCHEMBL9609149 0.88 GALR3 (0.45) GALR3NR2F2EGFRHTTABCG2
SCHEMBL8497996 0.88 CNR1 (0.46) CNR1CNR2EGFRHTTSMN1; SMN2
SCHEMBL8517042 0.88 MEN1 (0.49) CNR1CNR2EGFRHTTRXFP1
SCHEMBL8507035 0.87 LPAR2 (0.51) CNR1CNR2LPAR1LPAR2
SCHEMBL8484019 0.87 GALR3 (0.47) GALR3NR2F2CNR1CNR2EGFR
SCHEMBL8516838 0.87 GALR3 (0.50) GALR3NR2F2EGFRHTTABCG2
SCHEMBL8506564 0.85 CNR1 (0.38) CNR1CNR2EGFRRXFP1PPARG
SCHEMBL8497982 0.85 LPAR1 (0.47) CNR1CNR2EGFRLPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 — — EP disclosed
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 — — WO disclosed
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