SCHEMBL22232702

SCHEMBL22232702

NC(=O)N1OCCC1(c1cccnc1)c1cccc(C#Cc2cnc3cccnn23)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.39
ROR1 Q01973 4/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KCNH2 Q12809 1/20 0.34
CSF1R P07333 1/20 0.33
VNN1 O95497 1/20 0.33
RET P07949 1/20 0.32
ABL2 P42684 1/20 0.31
MAPK14 Q16539 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
Trichloroacetic Acid SCHEMBL22232737 0.95 ABL1 (0.37) ABL1ROR1FGFR1FGFR2FGFR4
SCHEMBL22232778 0.93 ABL1 (0.39) ABL1ROR1FGFR1FGFR2FGFR4
SCHEMBL22232763 0.91 ABL1 (0.39) ABL1ROR1FGFR1FGFR2FGFR4
SCHEMBL22232746 0.89 CSF1R (0.41) ABL1ROR1FGFR1FGFR2FGFR4
Trichloroacetic Acid SCHEMBL22232789 0.84 CSF1R (0.38) ABL1ROR1CSF1RRET
SCHEMBL22232810 0.82 ROR1 (0.37) ABL1ROR1FGFR1FGFR2FGFR4
Trifluoroacetic Acid SCHEMBL22232764 0.81 ABL1 (0.36) ABL1ROR1FGFR1FGFR2FGFR4
SCHEMBL22232785 0.81 NTRK3 (0.40) ABL1FGFR3ABL2MAPK14
SCHEMBL22232739 0.80 ABL1 (0.41) ABL1ROR1FGFR1FGFR2FGFR4
SCHEMBL22232696 0.80 ROR1 (0.49) ABL1ROR1FGFR1FGFR2FGFR4

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-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 claimed
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