SCHEMBL3732373

SCHEMBL3732373

CC(c1ccc(F)cn1)c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KCNH2 Q12809 1/20 0.48
HTR3A P46098 1/20 0.45

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
SCHEMBL605079 0.77 HRH4 (0.66) HRH4HRH3
SCHEMBL604018 0.77 HRH4 (0.60) HRH4HRH3HTR3A
SCHEMBL2167266 0.72 HRH4 (0.89) HRH4HRH3
SCHEMBL2361195 0.71 KCNH2 (0.66) HRH4KCNH2
SCHEMBL2339285 0.71 KCNH2 (0.66) HRH4KCNH2
SCHEMBL602944 0.71 HRH4 (0.60) HRH4HRH3
SCHEMBL15857987 0.70 TDO2 (0.56) HRH4HRH3HTR3A
SCHEMBL604276 0.70 HRH4 (0.72) HRH4HRH3HTR3A
SCHEMBL603408 0.68 HRH4 (0.56) HRH4HRH3
SCHEMBL27738427 0.68 HRH4 (0.69) HRH4HRH3

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-2152702-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2008135786-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 WO disclosed