SCHEMBL23763733

SCHEMBL23763733

CC(C)(C)c1ccc2nc3n(c2c1)c1c2c4ccccc4n4c2c(c2c5ccccc5n3c21)n1c2cc(C(C)(C)C)ccc2nc14

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36

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
SCHEMBL23763731 0.89 HTR1D (0.33) PDE2APDE10APGRRORARORC
SCHEMBL23763499 0.86 ALDH1A1 (0.39) KIF11PDE2ATP53SMN1; SMN2ADORA2A
SCHEMBL23763423 0.83 CYP19A1 (0.34) CDK2ALKKIF11TP53SMN1; SMN2
SCHEMBL23763431 0.81 FLT3 (0.36) FLT3PGRRORARORCRORB
SCHEMBL18805412 0.81 SCN10A (0.40) PDE2APDE10AMAPTALDH1A1MEN1
SCHEMBL23763598 0.79 LMNA (0.34) LCKSRCTP53SMN1; SMN2ADORA2A
SCHEMBL23763430 0.79 PDE10A (0.38) LCKKDRJAK3CLK4PDE2A
SCHEMBL23763557 0.79 HTR1D (0.34) KIF11PDE2APDE10APGRRORA
SCHEMBL23763628 0.78 PTGER4 (0.34) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL19735270 0.78 KDM4E (0.43) PLK4CHEK1AURKACHUKPDPK1

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
EP-3865486-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2021-08-18 EP disclosed