SCHEMBL30142976

SCHEMBL30142976

N#C/N=C(/NCCCCCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)ccn1)Nc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.55
KDR P35968 6/20 0.55
HDAC3 O15379 5/20 0.55
HDAC4 P56524 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC9 Q9UKV0 5/20 0.55
HDAC5 Q9UQL6 5/20 0.55
PDGFRB P09619 3/20 0.55
BRAF P15056 3/20 0.55
ARAF P10398 2/20 0.55
GSK3B P49841 2/20 0.54
MAPK14 Q16539 3/20 0.50
TNNI3K Q59H18 3/20 0.50
PLK4 O00444 2/20 0.50

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
SCHEMBL28943458 1.00 RAF1 (0.55) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL30142968 0.92 RAF1 (0.51) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28963967 0.92 RAF1 (0.51) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28963973 0.91 RAF1 (0.70) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943449 0.91 RAF1 (0.70) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943481 0.85 RAF1 (0.68) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943467 0.85 RAF1 (0.68) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943521 0.84 RAF1 (0.67) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943464 0.83 RAF1 (0.71) RAF1KDRHDAC3HDAC4HDAC1
SCHEMBL28943450 0.82 RAF1 (0.66) RAF1KDRHDAC3HDAC4HDAC1

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-111848506-B Biphenyl urea compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed