SCHEMBL3645180

SCHEMBL3645180

Cc1cc(NCCN)nc(N)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
SYK P43405 6/20 0.39
IKBKB O14920 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
HPGD P15428 2/20 0.35
TLR8 Q9NR97 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CA P42336 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL3613323 0.84 KDM4E (0.39) KDM4ESYKSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3986248 0.72 ALDH1A1 (0.63) KDM4EIKBKBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL15652833 0.71 KDM4C (0.48) KDM4ESYKKCNH2KDM4CPIM2
Hydrochloric Acid SCHEMBL920573 0.71 ALDH1A1 (0.61) KDM4EIKBKBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL27911475 0.69 ALDH1A1 (0.42) KDM4ESYKSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4590841 0.68 PTGER4 (0.40) KDM4EALDH1A1TLR8KMT2AHSD17B10
SCHEMBL25331044 0.67 POLB (0.57) KDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL1187744 0.67 KDM4E (0.80) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3613321 0.65 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MAPK1KCNH2
SCHEMBL3608725 0.65 ALDH1A1 (0.40) KDM4ESYKALDH1A1MAPK1KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
EP-2176264-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE Bayer Schering Pharma AG (DE) 2010-04-21 EP disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed