SCHEMBL11246662

SCHEMBL11246662

CC(C)(C)c1ccc(OCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.64
▸ PIK3CD O00329 1/20 0.55
▸ PIK3R1 P27986 1/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALPG P10696 1/20 0.52
▸ S1PR2 O95136 1/20 0.52
▸ EGFR P00533 4/20 0.52
▸ NR2F2 P24468 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ HTT P42858 5/20 0.51
▸ APP P05067 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ RAB9A P51151 4/20 0.47

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
SCHEMBL11251531 0.86 LDHA (0.72) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11249387 0.86 LDHA (0.68) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11260593 0.85 PIK3CD (0.71) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11258419 0.83 LDHA (0.64) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11243312 0.83 LDHA (0.64) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11249743 0.83 PIK3CD (0.73) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11256733 0.83 LDHA (0.64) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11249931 0.82 SMN1; SMN2 (0.64) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11240638 0.82 EGFR (0.68) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA
SCHEMBL11249682 0.82 LDHA (0.63) LDHAPIK3CDPIK3R1SMN1; SMN2LMNA

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-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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