SCHEMBL29773082

SCHEMBL29773082

CC(C)(C)n1ncc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.61
PI4K2B Q8TCG2 3/20 0.61
PI4K2A Q9BTU6 3/20 0.61
PI4KB Q9UBF8 3/20 0.61
XDH P47989 6/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
EGFR P00533 3/20 0.49
CYP1A2 P05177 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABL1 P00519 5/20 0.45

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
SCHEMBL156688 1.00 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL22971112 0.86 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL26658515 0.83 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL22521559 0.80 CYP1A2 (0.47) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL22521558 0.79 ABL1 (0.45) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4569746 0.79 ABL1 (0.45) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL130407 0.76 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL24659480 0.75 CYP1A2 (0.39) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL22704493 0.75 CYP1A2 (0.36) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL19049958 0.74 XDH (0.41) PI4KAPI4K2BPI4K2API4KBXDH

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
WO-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
EP-4041311-A1 METHODS AND SYSTEMS USING PEPTIDES FOR TARGETING AND MAPPING HUMAN NERVES IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY Alume Biosciences, Inc. (US) 2022-08-17 EP disclosed