SCHEMBL4332430

SCHEMBL4332430

CNCCN(C)c1ccn2ncc(-c3ccc(OC(F)(F)F)cc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.50
PIM1 P11309 12/20 0.44
PRMT1 Q99873 2/20 0.41
PIM2 Q9P1W9 8/20 0.41
KCNH2 Q12809 1/20 0.41
RET P07949 1/20 0.41
NTRK1 P04629 1/20 0.40
FLT3 P36888 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL4594307 0.80 PIM1 (0.70) SCN5APIM1PIM2KCNH2RET
SCHEMBL4339486 0.78 SCN5A (0.51) SCN5APIM1PIM2KCNH2RET
SCHEMBL4885901 0.76 FYN (0.52) PIM1PIM2RET
SCHEMBL4339013 0.76 SCN5A (0.48) SCN5APIM1PIM2KCNH2NTRK1
SCHEMBL4333814 0.74 RET (0.59) SCN5APIM1PIM2KCNH2RET
Ammonia Solution, Strong SCHEMBL4594310 0.74 SCN5A (0.53) SCN5APIM1PIM2KCNH2FLT3
SCHEMBL4331109 0.72 RET (0.47) SCN5APIM1PIM2KCNH2RET
SCHEMBL102242 0.71 PIM1 (0.51) SCN5APIM1PIM2KCNH2NTRK1
SCHEMBL4342695 0.70 SCN5A (0.48) SCN5APIM1PIM2KCNH2FLT3
SCHEMBL4330143 0.70 FYN (0.57) SCN5APIM1PIM2KCNH2RET

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-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed