SCHEMBL30907101

SCHEMBL30907101

CC[C@H](O)c1cc(C)c(-c2cc3cnc4[nH]ccc4c3cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.41
JAK2 O60674 5/20 0.38
JAK1 P23458 5/20 0.38
CIT O14578 4/20 0.36
RPS6KA3 P51812 1/20 0.35
AXL P30530 1/20 0.35
PRKCI P41743 1/20 0.35
CSNK1D P48730 1/20 0.35
MAPK14 Q16539 1/20 0.35
NUDT1 P36639 2/20 0.34
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
ATR Q13535 1/20 0.32

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
SCHEMBL30907471 1.00 ABL1 (0.41) ABL1JAK2JAK1CITRPS6KA3
SCHEMBL30907357 1.00 ABL1 (0.41) ABL1JAK2JAK1CITRPS6KA3
SCHEMBL30907110 0.92 CIT (0.35) ABL1JAK2JAK1CITRPS6KA3
SCHEMBL30907394 0.92 CIT (0.35) ABL1JAK2JAK1CITRPS6KA3
SCHEMBL30907449 0.92 CIT (0.35) ABL1JAK2JAK1CITRPS6KA3
SCHEMBL30907516 0.84 ABL1 (0.40) ABL1
SCHEMBL30907362 0.83 ABL1 (0.39) ABL1
SCHEMBL30907351 0.83 ABL1 (0.39) ABL1
SCHEMBL30907206 0.83 ABL1 (0.39) ABL1
SCHEMBL30907289 0.81 CIT (0.38) ABL1JAK2JAK1CITRPS6KA3

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed