SCHEMBL4557236

SCHEMBL4557236

CN(C)CC(N)c1ccn2ncc(-c3ccc4cc[nH]c4c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.41
RET P07949 5/20 0.41
PIM2 Q9P1W9 8/20 0.41
KDR P35968 1/20 0.40
MPO P05164 1/20 0.37
TPO P07202 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRAF P15056 1/20 0.35

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
SCHEMBL4557234 0.84 PIM1 (0.43) PIM1RETPIM2KDRMPO
SCHEMBL4595733 0.76 PIM1 (0.71) PIM1RETPIM2KDR
SCHEMBL4340335 0.62 FYN (0.44) PIM1RETPIM2
SCHEMBL4342695 0.61 SCN5A (0.48) PIM1PIM2KCNH2
SCHEMBL4332316 0.61 RET (0.63) PIM1RETKDR
SCHEMBL4595639 0.60 PIM1 (0.60) PIM1RETPIM2
SCHEMBL4594795 0.60 PIM1 (0.44) PIM1RETPIM2
SCHEMBL19095652 0.58 LRRK2 (0.57) PIM1PIM2KCNH2BRAF
SCHEMBL20370288 0.58 LCK (0.49) KDRMPOKCNH2BRAF
SCHEMBL21193665 0.57 RIPK2 (0.48) PIM1PIM2KDR

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