SCHEMBL8304442

SCHEMBL8304442

CCc1ncnc(NC(CO)c2ccc(C(C)(C)C)cc2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.41
▸ P2RX3 P56373 1/20 0.37
▸ CCR9 P51686 1/20 0.36
▸ CRHR1 P34998 1/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ LMNA P02545 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
SCHEMBL9528635 0.91 EGFR (0.40) EGFRP2RX3CRHR1AURKARPS6KB1
SCHEMBL9403796 0.85 EGFR (0.55) EGFRCRHR1AURKARPS6KB1
SCHEMBL8304201 0.81 CCR9 (0.35) CCR9AURKARPS6KB1
SCHEMBL8308475 0.81 CCR9 (0.37) CCR9AURKARPS6KB1LMNA
SCHEMBL8308579 0.80 EGFR (0.39) EGFRCCR9LMNA
SCHEMBL9215503 0.78 EGFR (0.47) EGFRCRHR1RPS6KB1LMNA
SCHEMBL9523092 0.77 EGFR (0.46) EGFRCRHR1RPS6KB1LMNA
SCHEMBL7992661 0.75 KDM4E (0.41) EGFRCRHR1RPS6KB1
SCHEMBL8303141 0.74 EGFR (0.38) EGFRP2RX3CRHR1RPS6KB1LMNA
SCHEMBL28943346 0.74 AURKA (0.40) EGFRCRHR1AURKARPS6KB1LMNA

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 7 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 claimed
EP-0555388-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-18 — — EP claimed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 — — WO claimed
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
Send feedback