SCHEMBL22232739

SCHEMBL22232739

NC(=O)N1OCCC1(c1ccccc1)c1ccc(F)c(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.41
ROR1 Q01973 5/20 0.39
CSF1R P07333 2/20 0.36
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
KCNH2 Q12809 2/20 0.35
ABL2 P42684 2/20 0.34
DDR1 Q08345 2/20 0.34
DDR2 Q16832 2/20 0.34
GAK O14976 1/20 0.34
MLNR O43193 1/20 0.34
RIPK2 O43353 1/20 0.34
JAK2 O60674 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
NR3C1 P04150 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL22232779 0.96 ABL1 (0.42) ABL1ROR1CSF1RFGFR1FGFR2
SCHEMBL22232696 0.90 ROR1 (0.49) ABL1ROR1CSF1RFGFR1FGFR2
Hydrochloric Acid SCHEMBL22232709 0.90 ROR1 (0.48) ABL1ROR1CSF1RFGFR1FGFR2
Trifluoroacetic Acid SCHEMBL22232725 0.88 ABL1 (0.46) ABL1ROR1CSF1RFGFR1FGFR2
SCHEMBL22232778 0.87 ABL1 (0.39) ABL1ROR1CSF1RFGFR1FGFR2
SCHEMBL22232810 0.86 ROR1 (0.37) ABL1ROR1CSF1RFGFR1FGFR2
SCHEMBL22232821 0.85 ROR1 (0.37) ABL1ROR1CSF1RFGFR1FGFR2
Trifluoroacetic Acid SCHEMBL22232764 0.85 ABL1 (0.36) ABL1ROR1CSF1RFGFR1FGFR2
Trifluoroacetic Acid SCHEMBL22232777 0.83 ABL1 (0.35) ABL1ROR1CSF1RFGFR1FGFR2
SCHEMBL22232702 0.80 ABL1 (0.39) ABL1ROR1CSF1RFGFR1FGFR2

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-2020149553-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR TREATMENT OF KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 WO disclosed