SCHEMBL2210667

SCHEMBL2210667

c1cc(-n2cnc3nccnc32)c2cccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP19A1 P11511 1/20 0.37
TBXAS1 P24557 1/20 0.37
POLB P06746 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC9A1 P19634 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
BMP4 P12644 1/20 0.34

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
SCHEMBL23438582 0.68 KDM4E (0.41) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL609118 0.67 MAPT (0.58) KDM4EMAPTKMT2AMEN1CYP19A1
SCHEMBL27565565 0.67 TBXAS1 (0.52) KDM4EMAPTKMT2AMEN1CYP19A1
SCHEMBL16344606 0.67 CYP3A4 (0.45) KDM4EMAPTCYP19A1TBXAS1ALDH1A1
SCHEMBL4067924 0.67 CDC7 (0.49) KDM4EMAPTALDH1A1LMNACYP3A4
SCHEMBL2040804 0.66 EGFR (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL30269650 0.66 EGFR (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4056820 0.66 ALDH1A1 (0.44) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL16484326 0.66 KDM4E (0.47) KDM4EMAPTKMT2AMEN1CYP19A1
SCHEMBL21383713 0.65 RPS6KA5 (0.40) KDM4EMAPTKMT2AMEN1ALDH1A1

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-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US claimed