SCHEMBL25839064

SCHEMBL25839064

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.56
CLK1 P49759 2/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
TDO2 P48775 1/20 0.56
MAP3K11 Q16584 1/20 0.55
KIT P10721 3/20 0.52
AXL P30530 2/20 0.51
CDK8 P49336 1/20 0.51
TNIK Q9UKE5 1/20 0.51
MAPK1 P28482 1/20 0.50
CAMKK2 Q96RR4 1/20 0.49
SGK1 O00141 1/20 0.49
NTRK1 P04629 1/20 0.48

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
SCHEMBL31150766 0.85 DYRK1A (0.65) DYRK1ACLK1DYRK2DYRK1BTDO2
SCHEMBL13949596 0.85 DYRK1A (0.65) DYRK1ACLK1DYRK2DYRK1BTDO2
SCHEMBL25839063 0.82 DYRK1A (0.63) DYRK1ACLK1DYRK1BKITAXL
SCHEMBL25785930 0.81 AXL (0.71) DYRK1AAXLCDK8TNIKCAMKK2
SCHEMBL26174544 0.80 CAMKK2 (0.61) DYRK1ADYRK1BTDO2MAPK1CAMKK2
SCHEMBL17952128 0.80 NTRK1 (0.62) DYRK1AKITAXLCDK8TNIK
SCHEMBL25838965 0.79 MAP3K11 (0.52) DYRK1ACLK1DYRK2DYRK1BMAP3K11
SCHEMBL16990255 0.79 TDO2 (0.63) DYRK1ATDO2MAPK1
SCHEMBL26174763 0.78 KIT (0.49) DYRK1ACLK1DYRK2DYRK1BMAP3K11
SCHEMBL20319257 0.77 DYRK1A (0.50) DYRK1ACLK1DYRK1BMAP3K11KIT

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