SCHEMBL25838965

SCHEMBL25838965

Cc1cnc2[nH]cc(-c3ccc(C(=O)N(C)C)nc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.52
MAP4K1 Q92918 4/20 0.49
CAMKK2 Q96RR4 3/20 0.47
SGK1 O00141 4/20 0.47
DYRK1A Q13627 3/20 0.47
CLK1 P49759 2/20 0.47
DYRK2 Q92630 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
ABL1 P00519 2/20 0.47
AXL P30530 2/20 0.46
CYP3A4 P08684 2/20 0.46
TNIK Q9UKE5 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
KIT P10721 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL25839064 0.79 DYRK1A (0.56) MAP3K11CAMKK2SGK1DYRK1ACLK1
SCHEMBL21592594 0.78 MAP4K1 (0.63) MAP3K11MAP4K1DYRK1ACLK1TNIK
SCHEMBL25839031 0.78 JAK2 (0.42) MAP3K11MAP4K1CAMKK2DYRK1ACLK1
SCHEMBL8941903 0.74 SGK1 (0.77) MAP4K1CAMKK2SGK1DYRK1AABL1
SCHEMBL22922400 0.73 DYRK1A (0.60) MAP3K11MAP4K1CAMKK2SGK1DYRK1A
SCHEMBL25785930 0.73 AXL (0.71) CAMKK2SGK1DYRK1AAXLTNIK
SCHEMBL8320557 0.72 MAPK8 (0.70) MAP3K11MAP4K1CAMKK2SGK1DYRK1A
SCHEMBL7872383 0.72 TDP1 (0.44) DYRK1A
SCHEMBL17952128 0.72 NTRK1 (0.62) DYRK1AAXLTNIKMAPK8KIT
SCHEMBL25839063 0.71 DYRK1A (0.63) DYRK1ACLK1DYRK1BAXLTNIK

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
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed