SCHEMBL19367206

SCHEMBL19367206

O=Cc1cc2scnc2c(F)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
SMC2 O95347 1/20 0.38
EGFR P00533 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
SRC P12931 2/20 0.36
CYP2A6 P11509 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
RIPK2 O43353 2/20 0.31
L3MBTL1 Q9Y468 2/20 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
SCHEMBL19367006 0.83 MAP2K1 (0.36) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129514 0.82 MAP2K1 (0.45) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129492 0.79 MAP2K1 (0.47) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19367535 0.78 NPC1 (0.43) NPC1RAB9AKMT2AMEN1RIPK2
SCHEMBL3859991 0.78 EGFR (0.38) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19366613 0.78 FLT1 (0.35) MAP2K1MAP2K2NPC1RAB9AKMT2A
SCHEMBL19367202 0.77 RIPK2 (0.36) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129478 0.77 BRAF (0.35) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL2277841 0.77 MAP2K1 (0.60) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129646 0.75 MAP2K1 (0.49) MAP2K1SMC2EGFRCSNK2A2MAP2K2

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
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed