SCHEMBL21949412

SCHEMBL21949412

Cn1c(=O)c(Nc2ccc(N3CCOCC3)c(F)c2)nc2ccc(/C(C=N)=C/N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 2/20 0.40
JAK3 P52333 3/20 0.39
RET P07949 2/20 0.39
ROS1 P08922 2/20 0.39
FLT3 P36888 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EML4 Q9HC35 1/20 0.39
ALK Q9UM73 1/20 0.39
JAK2 O60674 1/20 0.39
BTK Q06187 3/20 0.38
PYGM P11217 2/20 0.38
EGFR P00533 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL21949125 0.91 PYGM (0.41) SYKRETROS1FLT3EML4
SCHEMBL21949453 0.91 KMT2A (0.40) HTTL3MBTL1SYKALDH1A1LMNA
SCHEMBL21949422 0.90 MAPK10 (0.41) SYKRETROS1FLT3EML4
SCHEMBL21949415 0.88 PYGM (0.43) HTTLMNAPYGMIRAK4NPC1
SCHEMBL21949426 0.86 MAPK9 (0.41) JAK3ALDH1A1SMN1; SMN2ALKBTK
SCHEMBL21949405 0.81 PYGM (0.44) FLT3PYGMEGFRNPC1RAB9A
SCHEMBL21949448 0.80 SRC (0.41) SYKJAK3JAK2EGFRIRAK4
SCHEMBL21949454 0.80 IRAK4 (0.41) SYKFLT3BTKPYGMMAPK10
SCHEMBL21949142 0.80 SYK (0.40) SYKJAK3ALDH1A1JAK2BTK
SCHEMBL21949135 0.79 PYGM (0.41) SYKFLT3PYGM

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-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3640247-A1 SYK INHIBITOR AND USE METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-04-22 EP disclosed