SCHEMBL30745947

SCHEMBL30745947

[2H]c1nc(C)nc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.39
NUDT1 P36639 1/20 0.39
PRKCI P41743 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 4/20 0.33
CDK8 P49336 1/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
BRD4 O60885 2/20 0.32
RIPK1 Q13546 1/20 0.32
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
PDK2 Q15119 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
APP P05067 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
SCHEMBL4217784 0.79 AXL (0.42) AXLNUDT1PRKCIADORA2AADORA1
Trifluoroacetic Acid SCHEMBL27742026 0.66 KIT (0.37) AXLCDK8RIPK1KDR
SCHEMBL343400 0.66 ADORA2A (0.57) AXLNUDT1PRKCIADORA2AADORA1
SCHEMBL19153433 0.64 ADORA2A (0.59) AXLPRKCIADORA2AADORA1PDK2
SCHEMBL12040846 0.64 ADORA2A (0.42) AXLNUDT1PRKCIADORA2AADORA1
SCHEMBL5134352 0.63 ADORA2A (0.44) AXLNUDT1PRKCIADORA2AADORA1
SCHEMBL11286572 0.63 AXL (0.39) AXLNUDT1PRKCIADORA2AADORA1
SCHEMBL1565012 0.63 AXL (0.38) AXLNUDT1PRKCIADORA2AADORA1
SCHEMBL23889254 0.62 ADORA2A (0.40) AXLPRKCIADORA2AADORA1PIK3CA
Ammonia Solution, Strong SCHEMBL18806383 0.61 ADORA2A (0.43) AXLPRKCIADORA2AADORA1PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN claimed
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN disclosed