SCHEMBL7319485

SCHEMBL7319485

CCOC(=O)Cc1cn2cc(Br)nc(NC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
FPR1 P21462 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7326240 0.80 KDM4E (0.45) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL15069034 0.74 MEN1 (0.42) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL20533689 0.73 KDM4E (0.43) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL20596629 0.73 ALDH1A1 (0.47) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL24739338 0.73 KDM4E (0.38) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3689482 0.71 KDM4E (0.41) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4822612 0.69 KDM4E (0.47) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL25397343 0.69 MAPK1 (0.50) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL25395707 0.68 KDM4E (0.42) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL20985955 0.68 KDM4E (0.53) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028605-A Antispasmodic, bronchodilators, uterine relaxants, cardiac analeptics, neurosedatives L'UNIVERSITE DE MONTPELLIER I (FR) 1991-07-02 US disclosed
EP-0348392-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Université Montpellier I (FR) 1990-01-03 EP disclosed
WO-1988004298-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-06-16 WO disclosed