SCHEMBL8308475

SCHEMBL8308475

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.37
▸ EPHX1 P07099 6/20 0.35
▸ FYN P06241 1/20 0.35
▸ AKT1 P31749 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RET P07949 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ RPS6KB1 P23443 3/20 0.32
▸ AURKA O14965 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SYK P43405 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
SCHEMBL8308579 0.88 EGFR (0.39) CCR9FYNLMNAMAPTATM
SCHEMBL8304442 0.81 EGFR (0.41) CCR9LMNARPS6KB1AURKA
SCHEMBL8304201 0.74 CCR9 (0.35) CCR9FYNMAPTRETRPS6KB1
SCHEMBL9528635 0.72 EGFR (0.40) RPS6KB1AURKA
SCHEMBL9085869 0.69 GALR3 (0.45) LMNAL3MBTL1AURKATP53
SCHEMBL9526898 0.68 RPS6KB1 (0.39) AKT1MAPTRPS6KB1AURKA
SCHEMBL15684929 0.68 CNR1 (0.48) —
SCHEMBL9215503 0.68 EGFR (0.47) AKT1LMNAMAPTRPS6KB1
SCHEMBL9869764 0.68 CRHR1 (0.36) —
SCHEMBL7992661 0.67 KDM4E (0.41) FYNMAPTRPS6KB1TP53

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-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 — — 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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