SCHEMBL11106513

SCHEMBL11106513

Cc1ncnc(NCCOc2ccccc2C(C)C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ BRD4 O60885 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11102923 0.89 KDM4E (0.44) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11104385 0.88 LMNA (0.45) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11101473 0.88 LMNA (0.43) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11291172 0.88 LMNA (0.43) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11110238 0.84 LMNA (0.45) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11109252 0.84 DRD2 (0.47) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11102123 0.82 MEN1 (0.47) ALDH1A1SMN1; SMN2BRD4EGFRERBB2
SCHEMBL11249895 0.81 LDHA (0.64) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11106353 0.81 LMNA (0.50) LMNAALDH1A1SMN1; SMN2BRD4EGFR
SCHEMBL11110872 0.81 LMNA (0.50) LMNAALDH1A1SMN1; SMN2BRD4EGFR

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
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
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