SCHEMBL22488048

SCHEMBL22488048

CC(C)(COC1CCCCO1)Oc1cc(I)cc(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.37
KDM4C Q9H3R0 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
HTT P42858 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
GBA1 P04062 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL22468358 1.00 ATR (0.37) ATRKDM4CKMT2APDE10ANPC1
SCHEMBL22468349 0.82 KDM4C (0.40) ATRKDM4CKMT2APDE10ANPC1
SCHEMBL29356162 0.82 KDM4C (0.40) ATRKDM4CKMT2APDE10ANPC1
SCHEMBL22488031 0.81 ATR (0.37) ATRKDM4CKMT2APDE10ANPC1
SCHEMBL22468364 0.72 ATR (0.46) ATRKMT2AKDM4EALDH1A1GAA
SCHEMBL22488590 0.66 NPSR1 (0.41) KMT2APDE10AKDM4EALDH1A1GAA
SCHEMBL22468414 0.66 CYP2C19 (0.39) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL22468377 0.65 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL22488554 0.65 BRAF (0.43) ATRKMT2AKDM4EALDH1A1GAA
SCHEMBL29359114 0.65 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAHPGD

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
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed
WO-2020198058-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-10-01 WO disclosed