SCHEMBL6202977

SCHEMBL6202977

COC([O])c1ccc2cn[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.50
DYRK1A Q13627 2/20 0.50
METAP2 P50579 2/20 0.50
MAPT P10636 5/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
AXL P30530 1/20 0.44
ALDH1A1 P00352 4/20 0.44
F2 P00734 2/20 0.44
FGFR1 P11362 4/20 0.42
FGFR2 P21802 2/20 0.41
FGFR3 P22607 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6181437 0.78 NOS1 (0.55) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL8064332 0.78 NOS1 (0.58) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL84390 0.78 MAPT (0.60) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL14769932 0.77 METAP2 (0.50) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL12961269 0.76 MAPT (0.49) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL18559548 0.75 MAPT (0.55) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL3722916 0.75 MAPT (0.54) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL21510145 0.75 MAPT (0.50) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL18737272 0.75 MAPT (0.50) NOS1DYRK1AMETAP2MAPTCYP3A4
SCHEMBL14534860 0.73 MAPT (0.49) NOS1DYRK1AMETAP2MAPTCYP3A4

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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed