SCHEMBL18830878

SCHEMBL18830878

C=C1CC/C=C\Nc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.31
▸ FER P16591 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL594087 0.72 NPC1 (0.41) —
SCHEMBL11802702 0.68 BRD4 (0.44) PDGFRAFERLTKCDK8ACVR1
SCHEMBL7623449 0.67 — —
SCHEMBL14042850 0.66 MAOA (0.31) PDGFRAFERLTKCDK8ACVR1
SCHEMBL2294908 0.65 BCHE (0.43) PDGFRAFERLTKCDK8ACVR1
SCHEMBL6006940 0.65 MEN1 (0.39) —
SCHEMBL13354600 0.64 NPC1 (0.55) PDGFRAFERLTKCDK8ACVR1
SCHEMBL16187233 0.64 — —
SCHEMBL1130729 0.63 NOS2 (0.41) PDGFRAFERLTKCDK8ACVR1
SCHEMBL168935 0.63 PDGFRA (0.52) PDGFRAFERLTKCDK8ACVR1

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-2872512-B1 BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2017-05-10 — — EP disclosed
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