SCHEMBL30368403

SCHEMBL30368403

O=Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.71
CDK8 P49336 3/20 0.71
KIT P10721 1/20 0.52
CDK2 P24941 2/20 0.52
CCNT1 O60563 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK9 P50750 1/20 0.52
TNIK Q9UKE5 1/20 0.51
IGF1R P08069 1/20 0.51
NTRK1 P04629 4/20 0.50
DYRK1A Q13627 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49

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
SCHEMBL29004618 1.00 AXL (0.71) AXLCDK8KITCDK2CCNT1
SCHEMBL13356904 0.85 CDK8 (0.63) AXLCDK8CDK2CCNT1CCNA2
SCHEMBL13745366 0.84 CDK8 (0.77) AXLCDK8KITCDK2CCNT1
SCHEMBL13745464 0.83 CDK8 (1.00) AXLCDK8KITCDK2CCNT1
SCHEMBL8320115 0.83 CDK8 (0.84) AXLCDK8KITCDK2CCNT1
SCHEMBL17939499 0.83 AXL (0.76) AXLCDK8KITTNIKNTRK1
SCHEMBL13745368 0.83 CDK8 (0.76) AXLCDK8KITCDK2CCNT1
SCHEMBL8313308 0.83 CDK8 (0.76) AXLCDK8KITCDK2CCNT1
SCHEMBL1516669 0.83 CDK8 (0.76) AXLCDK8KITCDK2CCNT1
SCHEMBL30368724 0.83 AXL (0.76) AXLCDK8KITTNIKNTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991705-B 3- (1H pyrrolo [2,3-b ] pyridin-5-yl) benzoyl derivatives, preparation and application thereof 安徽医科大学 2025-04-08 CN disclosed
CN-115991705-A 3- (1H pyrrolo [2,3-b ] pyridin-5-yl) benzoyl derivatives, preparation and application thereof 安徽医科大学 2023-04-21 CN disclosed