SCHEMBL4481640

SCHEMBL4481640

Cc1ccc(-c2ccc3c(NC(=O)NCCCn4ccnc4)n[nH]c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
RAD52 P43351 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GSK3B P49841 2/20 0.52
LMNA P02545 2/20 0.52
QPCT Q16769 2/20 0.49
NAMPT P43490 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4494610 0.92 KDM4E (0.52) KDM4EGAARAD52TDP1GSK3B
SCHEMBL4502734 0.90 ALDH1A1 (0.55) KDM4EGAAQPCTNAMPTALDH1A1
SCHEMBL4488444 0.87 GSK3B (0.55) KDM4EGAARAD52TDP1GSK3B
SCHEMBL4503182 0.86 AAK1 (0.55) KDM4EGSK3BLMNAQPCTNAMPT
SCHEMBL4487221 0.86 HDAC1 (0.56) KDM4EGAALMNAQPCTNAMPT
SCHEMBL4502522 0.84 HDAC1 (0.56) KDM4EQPCTNAMPTHSD17B10ALDH1A1
SCHEMBL4480331 0.82 GSK3B (0.61) GSK3BCYP1A2ABL1BCR
SCHEMBL4492112 0.82 GSK3B (0.61) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL12886058 0.82 HDAC6 (0.56) KDM4ELMNAQPCTCYP1A2CYP3A4
SCHEMBL4492939 0.81 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed