SCHEMBL29705188

SCHEMBL29705188

C(=Cc1nn(C2CCCCO2)c2ccccc12)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.38
KMT2A Q03164 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
ATM Q13315 1/20 0.36
RET P07949 1/20 0.34
PARP1 P09874 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MAP3K5 Q99683 1/20 0.33
ATR Q13535 1/20 0.33
F2R P25116 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL18198891 1.00 FGFR1 (0.38) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL30236077 0.87 CYP4F2 (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL30388040 0.87 CYP4F2 (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL29387740 0.87 RET (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL4053570 0.87 RET (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL32682437 0.87 RET (0.33) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL4905166 0.87 CYP4F2 (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL28684897 0.87 RET (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL30792270 0.87 RET (0.37) FGFR1KMT2ANPC1RAB9AMEN1
SCHEMBL28684894 0.87 RET (0.37) FGFR1KMT2ANPC1RAB9AMEN1

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
CN-109928964-B Synthetic method of axitinib intermediate 江苏开元药业有限公司 2022-04-15 CN disclosed