SCHEMBL24377982

SCHEMBL24377982

Bc1cc2cnc(N)nn2c1

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
GRK5 P34947 1/20 0.30
MAPK8 P45983 1/20 0.30
CSNK1A1 P48729 1/20 0.30
ACVR1 Q04771 1/20 0.30
PTK2 Q05397 1/20 0.30
TYRO3 Q06418 1/20 0.30
MAP4K2 Q12851 1/20 0.30
DYRK1A Q13627 1/20 0.30
IKBKE Q14164 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL22828545 0.77 HTT (0.32) MAP4K4PAK4CSF1RRETGRK5
SCHEMBL24378003 0.67 L3MBTL1 (0.36)
SCHEMBL5634584 0.65 MEN1 (0.32)
Methane SCHEMBL31113175 0.63 JAK2 (0.37) MAP4K4PAK4CSF1RRETGRK5
SCHEMBL46977 0.61
SCHEMBL19327434 0.60 AURKA (0.32) MAP4K4MAPK8TYRO3MAP4K2DYRK1A
SCHEMBL13075093 0.58 MAP4K4 (0.47) MAP4K4DYRK1A
SCHEMBL31665951 0.57 DYRK1A (0.39) MAP4K4CSF1RRETMAPK8ACVR1
SCHEMBL24718562 0.56 GAA (0.43)
SCHEMBL22828757 0.56 HTT (0.31)

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
EP-3988551-A1 CDK KINASE INHIBITOR Beijing Benicall Biotech Co., Ltd. (CN) 2022-04-27 EP disclosed