SCHEMBL29037754

SCHEMBL29037754

Cc1cc(NC=O)ccc1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 9/20 0.47
ALK Q9UM73 9/20 0.47
RET P07949 10/20 0.46
ROS1 P08922 10/20 0.46
FLT3 P36888 10/20 0.46
FGFR3 P22607 1/20 0.43
EGFR P00533 3/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29520519 1.00 EML4 (0.47) EML4ALKRETROS1FLT3
SCHEMBL29037795 0.87 KDM4E (0.48) FGFR3EGFRALDH1A1
SCHEMBL29520312 0.87 KDM4E (0.48) FGFR3EGFRALDH1A1
SCHEMBL29037743 0.85 FGFR3 (0.53) EML4ALKRETROS1FLT3
SCHEMBL29520366 0.85 FGFR3 (0.53) EML4ALKRETROS1FLT3
SCHEMBL29037744 0.81 ALDH1A1 (0.46) HRH3ALDH1A1
SCHEMBL29037679 0.80 FGFR3 (0.55) EML4ALKRETROS1FLT3
SCHEMBL29520314 0.80 FGFR3 (0.55) EML4ALKRETROS1FLT3
SCHEMBL24124031 0.79 GAA (0.50) ALDH1A1
SCHEMBL10157374 0.77 ALDH1A1 (0.42) EML4ALKRETROS1FLT3

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed