SCHEMBL11737345

SCHEMBL11737345

CC(CN)CNc1nc(NCC(C)CN)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ UBE2N P61088 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RCE1 Q9Y256 1/20 0.52
▸ ACHE P22303 9/20 0.52
▸ BCHE P06276 8/20 0.52
▸ APP P05067 8/20 0.52
▸ ACP1 P24666 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.49
▸ CASP6 P55212 1/20 0.48

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
SCHEMBL8542576 0.81 RAD52 (0.55) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL11734758 0.72 CASP6 (0.62) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL16404352 0.70 ACP1 (0.72) ALDH1A1MAPTKMT2AACP1
SCHEMBL12175837 0.70 RAD52 (1.00) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL3542022 0.69 MAPT (0.46) ALDH1A1LMNAMAPT
SCHEMBL11735120 0.69 CASP6 (0.84) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL9287754 0.68 SUMO3 (0.72) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL4084505 0.68 ACP1 (1.00) LMNAMAPTKMT2AACP1TLR7
SCHEMBL1090319 0.68 TLR9 (0.67) RAD52KDM4EALDH1A1LMNAMAPT
SCHEMBL30456191 0.68 APP (0.60) KDM4EALDH1A1LMNAMAPTKMT2A

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-4048312-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-3956495-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-05-11 — — US disclosed
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