SCHEMBL20530739

SCHEMBL20530739

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(C(=O)N[C@@H]3CCNC[C@H]3F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.59
▸ LCK P06239 15/20 0.55
▸ SRC P12931 3/20 0.54
▸ HCK P08631 3/20 0.54
▸ MAPK13 O15264 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ JAK3 P52333 2/20 0.54
▸ MAPK12 P53778 2/20 0.54
▸ MAPK11 Q15759 2/20 0.54
▸ ABL1 P00519 2/20 0.51
▸ ERBB2 P04626 1/20 0.50
▸ YES1 P07947 1/20 0.50
▸ LYN P07948 1/20 0.50
▸ FGR P09769 1/20 0.50
▸ KIT P10721 1/20 0.50
▸ BCR P11274 1/20 0.50
▸ BTK Q06187 1/20 0.48

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
SCHEMBL20530785 1.00 MAPK14 (0.59) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530752 0.89 MAPK14 (0.62) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530756 0.89 MAPK14 (0.62) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530777 0.88 MAPK14 (0.64) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530749 0.85 MAPK14 (0.69) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530781 0.85 MAPK14 (0.58) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530786 0.85 MAPK14 (0.58) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530754 0.84 MAPK14 (0.58) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530748 0.82 MAPK14 (0.61) MAPK14LCKSRCHCKMAPK13
SCHEMBL20530775 0.82 MAPK14 (0.54) MAPK14LCKSRCHCKMAPK13

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-3388430-A1 COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND Technische Universität München (DE) 2018-10-17 — — EP disclosed
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