SCHEMBL30173623

SCHEMBL30173623

FC(F)(F)c1cnn(-c2cn[nH]c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
XDH P47989 1/20 0.36
EPHB4 P54760 1/20 0.35
CCR9 P51686 1/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM4 Q14833 1/20 0.32
NPBWR1 P48145 1/20 0.31
GABRB3 P28472 2/20 0.31
MGLL Q99685 1/20 0.31
GCGR P47871 4/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL15527924 0.74 KCNH2 (0.31)
SCHEMBL3606688 0.72 GAA (0.55) EPHX2XDHMEN1NPC1RAB9A
SCHEMBL28023264 0.72 EPHX2 (0.42) EPHX2XDHMEN1NPC1RAB9A
SCHEMBL20523553 0.70
SCHEMBL324373 0.69
SCHEMBL11900195 0.69 EPHX2 (0.44) EPHX2XDHMEN1NPC1RAB9A
SCHEMBL11901651 0.69 EPHX2 (0.55) EPHX2XDHMEN1NPC1RAB9A
SCHEMBL597031 0.69 MAPKAPK2 (0.48) EPHX2MEN1NPC1RAB9AKMT2A
SCHEMBL25777245 0.67 EPHX2 (0.45) EPHX2XDHMEN1NPC1RAB9A
SCHEMBL27606818 0.66 EPHX2 (0.55) EPHX2MEN1NPC1RAB9AKMT2A

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-115515591-A Process for preparing tyrosine receptor kinase inhibitors 派拉米德生物科学公司 2022-12-23 CN disclosed