SCHEMBL8308579

SCHEMBL8308579

CCc1ncnc(NC(C(=O)OC)c2ccc(C(C)(C)C)cc2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ CCR9 P51686 2/20 0.36
▸ FYN P06241 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL8308475 0.88 CCR9 (0.37) CCR9FYNLMNAATMMAPT
SCHEMBL8304442 0.80 EGFR (0.41) EGFRCCR9LMNA
SCHEMBL8304201 0.73 CCR9 (0.35) CCR9FYNMEN1KMT2AMAPT
SCHEMBL9528635 0.71 EGFR (0.40) EGFR
SCHEMBL15684929 0.67 CNR1 (0.48) EGFRPDE2A
SCHEMBL9526898 0.67 RPS6KB1 (0.39) EGFRPDE2AALDH1A1MAPT
SCHEMBL9215503 0.67 EGFR (0.47) EGFRLMNAMAPTALOX15TDP1
SCHEMBL9869764 0.67 CRHR1 (0.36) EGFR
SCHEMBL2644751 0.66 NR1H4 (0.40) LMNAMEN1KMT2AMAPTL3MBTL1
SCHEMBL7992661 0.66 KDM4E (0.41) EGFRFYNALDH1A1MEN1KMT2A

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
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 — — EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 — — US disclosed
EP-0555388-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-18 — — EP disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 — — WO disclosed
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