SCHEMBL7880591

SCHEMBL7880591

CCN(CC)c1ccc(NCc2ccc(-c3n[nH]c4c3sc3ccccc34)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
EGFR P00533 1/20 0.35
MYC P01106 6/20 0.34
NTRK1 P04629 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 2/20 0.32
ROCK1 Q13464 2/20 0.32
LRRK2 Q5S007 1/20 0.32
ENPP1 P22413 1/20 0.32
AOC3 Q16853 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL7097405 0.84 KDM4E (0.41) CLK1DYRK1AEGFRNTRK1KMT2A
SCHEMBL7093132 0.81 HTR6 (0.37) NTRK1ROCK1
SCHEMBL7892160 0.80 EGFR (0.34) CLK1DYRK1AEGFRENPP1
SCHEMBL7094580 0.80 RAB9A (0.46) EGFRNAMPTLRRK2
SCHEMBL7090927 0.79 GAA (0.46) EGFRMEN1KMT2ACNR2
SCHEMBL7096045 0.79 LRRK2 (0.43) DYRK1AEGFRNAMPTROCK1LRRK2
SCHEMBL7092191 0.76 CXCR4 (0.51) DYRK1AEGFRNTRK1MEN1KMT2A
SCHEMBL7095832 0.74 AURKB (0.40) MEN1KMT2A
SCHEMBL7886097 0.74 NOS2 (0.52) EGFRMEN1KMT2ALRRK2
SCHEMBL7091910 0.73 L3MBTL1 (0.46) EGFRNTRK1MEN1KMT2AENPP1

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-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed