SCHEMBL23645659

SCHEMBL23645659

COc1nc2c(c(N3CCNC(CC#N)C3)n1)CCC1(CCCc3ccccc31)C2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.39
SIGMAR1 Q99720 15/20 0.35
EBP Q15125 1/20 0.32
PRKCI P41743 1/20 0.31

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
SCHEMBL30067506 0.89 KRAS (0.44) KRAS
SCHEMBL30067614 0.88 KRAS (0.38) KRAS
SCHEMBL23645279 0.88 SIGMAR1 (0.34) KRASSIGMAR1
SCHEMBL23645005 0.88 SIGMAR1 (0.34) KRASSIGMAR1
SCHEMBL23645007 0.88 SIGMAR1 (0.34) KRASSIGMAR1
SCHEMBL30067425 0.87 KRAS (0.55) KRAS
SCHEMBL23668857 0.87 KRAS (0.55) KRAS
SCHEMBL23644269 0.87 KRAS (0.55) KRAS
SCHEMBL23644308 0.87 KRAS (0.34) KRAS
SCHEMBL30067554 0.86 KRAS (0.46) KRAS

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-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed