SCHEMBL12474001

SCHEMBL12474001

CSCCCNC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 1.00
▸ PDGFRA P16234 3/20 1.00
▸ PDGFRB P09619 3/20 1.00
▸ TLK2 Q86UE8 1/20 0.64
▸ PAK4 O96013 3/20 0.59
▸ PDPK1 O15530 2/20 0.56
▸ RET P07949 9/20 0.55
▸ FLT3 P36888 3/20 0.53
▸ ALK Q9UM73 3/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL12474005 1.00 KDR (1.00) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL12473994 0.93 PDGFRA (1.00) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL12473996 0.93 PDGFRA (1.00) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL30685915 0.83 KDR (0.70) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL5368286 0.81 PAK4 (0.69) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL14519103 0.79 TLK2 (0.82) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL16568378 0.79 TLK2 (0.82) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL5362637 0.78 TLK2 (0.77) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL5361474 0.78 TLK2 (0.70) KDRPDGFRAPDGFRBTLK2PAK4
SCHEMBL5369648 0.76 TLK2 (0.74) KDRPDGFRAPDGFRBTLK2PAK4

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
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 — — WO claimed
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