SCHEMBL20787689

SCHEMBL20787689

CC(C)(C)C1CN(c2ccc(Nc3ncc4cccc(-c5cccc(Cl)c5)c4n3)cc2)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.54
▸ BRD4 O60885 2/20 0.54
▸ EGFR P00533 3/20 0.51
▸ FGFR2 P21802 1/20 0.48
▸ MAPK10 P53779 6/20 0.46
▸ JUN P05412 4/20 0.46
▸ MAPK8 P45983 4/20 0.46
▸ SLC6A7 Q99884 1/20 0.45
▸ TTK P33981 3/20 0.45
▸ PTK2 Q05397 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41

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
SCHEMBL16514311 0.85 EGFR (0.62) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16513586 0.80 EGFR (0.59) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29848021 0.80 EGFR (0.59) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16513865 0.77 MAPK10 (0.64) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29847770 0.76 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16514398 0.76 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29576058 0.75 JAK2 (0.63) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16823053 0.75 JAK2 (0.63) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29847699 0.74 JAK2 (0.62) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16514118 0.74 JAK2 (0.62) JAK2BRD4EGFRFGFR2MAPK10

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-3035936-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-03-13 — — EP disclosed
Send feedback