SCHEMBL19367459

SCHEMBL19367459

OCC(O)CC1(SNc2cc3scnc3c(F)c2Nc2ccc(Br)cc2Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.34
SMC2 O95347 1/20 0.34
EGFR P00533 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAP2K2 P36507 1/20 0.34
SMC1A Q14683 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34

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
SCHEMBL19366557 0.87 MAP2K1 (0.33) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19366949 0.84 MAP2K1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19366602 0.84 MAP2K1 (0.34) MAP2K1MAP2K2
SCHEMBL15129419 0.83 MAP2K1 (0.41) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19367202 0.77 RIPK2 (0.36) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129595 0.73 MAP2K1 (0.56) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15131429 0.71 MAP2K1 (0.53) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL19366606 0.70 MAP2K1 (0.34) MAP2K1MAP2K2
SCHEMBL19347512 0.70 MAP2K1 (0.53) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL15129375 0.70 MAP2K1 (0.34) 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